KEGG   COMPOUND: C03758
Entry
C03758                      Compound                               

Name
Dopamine;
4-(2-Aminoethyl)-1,2-benzenediol;
4-(2-Aminoethyl)benzene-1,2-diol;
3,4-Dihydroxyphenethylamine;
2-(3,4-Dihydroxyphenyl)ethylamine
Formula
C8H11NO2
Exact mass
153.079
Mol weight
153.1784
Structure
Remark
Same as: D07870
Reaction
Pathway
map00350  Tyrosine metabolism
map00950  Isoquinoline alkaloid biosynthesis
map00965  Betalain biosynthesis
map01060  Biosynthesis of plant secondary metabolites
map01063  Biosynthesis of alkaloids derived from shikimate pathway
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
map04024  cAMP signaling pathway
map04080  Neuroactive ligand-receptor interaction
map04540  Gap junction
map04721  Synaptic vesicle cycle
map04728  Dopaminergic synapse
map04917  Prolactin signaling pathway
map04976  Bile secretion
map05012  Parkinson disease
map05030  Cocaine addiction
map05031  Amphetamine addiction
map05032  Morphine addiction
map05034  Alcoholism
Module
M00042  Catecholamine biosynthesis, tyrosine => dopamine => noradrenaline => adrenaline
Enzyme
1.4.3.4         1.4.3.21        1.4.9.2         1.10.3.-        
1.14.13.-       1.14.17.1       1.14.18.1       2.1.1.6         
4.1.1.25        4.1.1.28        4.2.1.78        4.3.3.3         
4.3.3.4
Brite
Compounds with biological roles [BR:br08001]
 Peptides
  Amines
   Biogenic amines
    C03758  Dopamine
 Hormones and transmitters
  Other hormones
   Dopamine
    C03758  Dopamine
  Neurotransmitters
   Biogenic amines
    C03758  Dopamine
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Tyramine derivatives
    C03758  Dopamine
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C01 CARDIAC THERAPY
   C01C CARDIAC STIMULANTS EXCL. CARDIAC GLYCOSIDES
    C01CA Adrenergic and dopaminergic agents
     C01CA04 Dopamine
      D07870  Dopamine (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD
     D07870  Dopamine (INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D07870
 Drug transporters
  D07870
Prodrugs [br08324.html]
 D07870
Other DBs
CAS: 51-61-6
PubChem: 6517
ChEBI: 18243
ChEMBL: CHEMBL59
KNApSAcK: C00001408
PDB-CCD: LDP[PDBj]
3DMET: B00634
NIKKAJI: J4.120C
KCF data

ATOM        11
            1   C8y C    25.9700  -18.5500
            2   C8x C    24.7800  -17.8500
            3   C8x C    25.9700  -19.9500
            4   C1b C    27.2300  -17.8500
            5   C8y C    23.5900  -18.5500
            6   C8x C    24.7800  -20.6500
            7   C1b C    28.4200  -18.5500
            8   C8y C    23.5900  -19.9500
            9   O1a O    22.4000  -17.8500
            10  N1a N    29.6100  -17.8500
            11  O1a O    22.4000  -20.5800
BOND        11
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     3   6 1
            6     4   7 1
            7     5   8 1
            8     5   9 1
            9     7  10 1
            10    8  11 1
            11    6   8 2

» Japanese version

KEGG   COMPOUND: C01996
Entry
C01996                      Compound                               

Name
Acetylcholine;
O-Acetylcholine
Formula
C7H16NO2
Exact mass
146.1181
Mol weight
146.2074
Structure
Remark
ATC code: S01EB09
Drug group: DG01133
Reaction
Pathway
map00564  Glycerophospholipid metabolism
map04024  cAMP signaling pathway
map04080  Neuroactive ligand-receptor interaction
map04721  Synaptic vesicle cycle
map04725  Cholinergic synapse
map04742  Taste transduction
map04810  Regulation of actin cytoskeleton
map04911  Insulin secretion
map04970  Salivary secretion
map04971  Gastric acid secretion
map04972  Pancreatic secretion
map04976  Bile secretion
map05033  Nicotine addiction
Enzyme
2.3.1.6         3.1.1.7         3.1.1.8
Brite
Compounds with biological roles [BR:br08001]
 Hormones and transmitters
  Neurotransmitters
   Acetylcholine
    C01996  Acetylcholine
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01E ANTIGLAUCOMA PREPARATIONS AND MIOTICS
    S01EB Parasympathomimetics
     S01EB09 Acetylcholine
      C01996  Acetylcholine
Other DBs
CAS: 51-84-3
PubChem: 5093
ChEBI: 15355
ChEMBL: CHEMBL667
PDB-CCD: ACH[PDBj]
3DMET: B00379
NIKKAJI: J4.127K
KCF data

ATOM        10
            1   N1d N    22.3189  -15.4000 #+
            2   C1b C    23.5027  -16.0881
            3   C1a C    21.5840  -16.7355
            4   C1a C    21.6365  -14.0646
            5   C1a C    20.9542  -15.4000
            6   C1b C    24.6866  -15.4000
            7   O7a O    25.8704  -16.0881
            8   C7a C    27.0543  -15.4000
            9   C1a C    28.2382  -16.0881
            10  O6a O    27.0543  -14.0353
BOND        9
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     8  10 2

» Japanese version

KEGG   COMPOUND: C00334
Entry
C00334                      Compound                               

Name
4-Aminobutanoate;
4-Aminobutanoic acid;
4-Aminobutyrate;
4-Aminobutyric acid;
gamma-Aminobutyric acid;
GABA
Formula
C4H9NO2
Exact mass
103.0633
Mol weight
103.1198
Structure
Remark
Same as: D00058
Reaction
Pathway
map00250  Alanine, aspartate and glutamate metabolism
map00330  Arginine and proline metabolism
map00410  beta-Alanine metabolism
map00650  Butanoate metabolism
map00760  Nicotinate and nicotinamide metabolism
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
map02024  Quorum sensing
map04024  cAMP signaling pathway
map04080  Neuroactive ligand-receptor interaction
map04721  Synaptic vesicle cycle
map04723  Retrograde endocannabinoid signaling
map04727  GABAergic synapse
map04742  Taste transduction
map04915  Estrogen signaling pathway
map04929  GnRH secretion
map05032  Morphine addiction
map05033  Nicotine addiction
Module
M00027  GABA (gamma-Aminobutyrate) shunt
M00135  GABA biosynthesis, eukaryotes, putrescine => GABA
M00136  GABA biosynthesis, prokaryotes, putrescine => GABA
Enzyme
1.2.1.3         1.2.1.19        1.2.1.-         1.5.3.19        
2.1.4.1         2.6.1.19        2.6.1.96        3.4.13.18       
3.4.13.20       3.5.1.63        3.5.1.94        3.5.3.7         
4.1.1.15        6.3.2.11
Brite
Compounds with biological roles [BR:br08001]
 Peptides
  Amino acids
   Other amino acids
    C00334  gamma-Aminobutyric acid
  Amines
   Biogenic amines
    C00334  gamma-Aminobutyric acid (GABA)
 Hormones and transmitters
  Neurotransmitters
   Amino acids
    C00334  GABA
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0110 Amino fatty acids
    C00334  4-Aminobutanoic acid
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N03 ANTIEPILEPTICS
   N03A ANTIEPILEPTICS
    N03AG Fatty acid derivatives
     N03AG03 Aminobutyric acid
      D00058  gamma-Aminobutyric acid (JAN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   219  Miscellaneous
    2190  Miscellaneous
     D00058  gamma-Aminobutyric acid (JAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Metabotropic glutamate receptor family
   GABA (metabotropic)
    GABBR
     D00058  gamma-Aminobutyric acid (JAN) <JP>
 Ion channels
  Ligand-gated ion channels
   GABA (ionotropic)
    GABR
     D00058  gamma-Aminobutyric acid (JAN) <JP>
Other DBs
CAS: 56-12-2
PubChem: 3628
ChEBI: 16865 30566
ChEMBL: CHEMBL96
LIPIDMAPS: LMFA01100039
KNApSAcK: C00001337
PDB-CCD: ABU[PDBj]
3DMET: B00090
NIKKAJI: J1.375G
KCF data

ATOM        7
            1   C1b C    21.8376  -18.3787
            2   C6a C    23.0478  -17.6770
            3   C1b C    20.6274  -17.6770
            4   O6a O    24.2580  -18.3850
            5   O6a O    23.0478  -16.2803
            6   C1b C    19.4108  -18.3787
            7   N1a N    18.2006  -17.6770
BOND        6
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     2   5 2
            5     3   6 1
            6     6   7 1

» Japanese version

KEGG   COMPOUND: C00025
Entry
C00025                      Compound                               

Name
L-Glutamate;
L-Glutamic acid;
L-Glutaminic acid;
Glutamate
Formula
C5H9NO4
Exact mass
147.0532
Mol weight
147.1293
Structure
Remark
Same as: D00007
Reaction
R00021 R00093 R00114 R00239 R00241 R00243 R00245 R00248
R00250 R00251 R00253 R00254 R00256 R00257 R00258 R00259
R00260 R00261 R00262 R00263 R00355 R00372 R00411 R00457
R00494 R00525 R00573 R00575 R00578 R00609 R00667 R00668
R00684 R00694 R00707 R00708 R00734 R00768 R00894 R00895
R00908 R00942 R00986 R01072 R01090 R01155 R01161 R01214
R01231 R01339 R01585 R01586 R01648 R01654 R01684 R01716
R01939 R01956 R02040 R02077 R02199 R02237 R02274 R02282
R02283 R02285 R02287 R02313 R02315 R02433 R02619 R02700
R02772 R02773 R02929 R02930 R03053 R03120 R03189 R03207
 » show all
Pathway
map00220  Arginine biosynthesis
map00250  Alanine, aspartate and glutamate metabolism
map00330  Arginine and proline metabolism
map00332  Carbapenem biosynthesis
map00340  Histidine metabolism
map00430  Taurine and hypotaurine metabolism
map00471  D-Glutamine and D-glutamate metabolism
map00480  Glutathione metabolism
map00524  Neomycin, kanamycin and gentamicin biosynthesis
map00630  Glyoxylate and dicarboxylate metabolism
map00650  Butanoate metabolism
map00660  C5-Branched dibasic acid metabolism
map00860  Porphyrin and chlorophyll metabolism
map00910  Nitrogen metabolism
map00970  Aminoacyl-tRNA biosynthesis
map00997  Biosynthesis of various secondary metabolites - part 3
map01060  Biosynthesis of plant secondary metabolites
map01064  Biosynthesis of alkaloids derived from ornithine, lysine and nicotinic acid
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
map01120  Microbial metabolism in diverse environments
map01200  Carbon metabolism
map01210  2-Oxocarboxylic acid metabolism
map01230  Biosynthesis of amino acids
map02010  ABC transporters
map02020  Two-component system
map04068  FoxO signaling pathway
map04072  Phospholipase D signaling pathway
map04080  Neuroactive ligand-receptor interaction
map04216  Ferroptosis
map04540  Gap junction
map04713  Circadian entrainment
map04720  Long-term potentiation
map04721  Synaptic vesicle cycle
map04723  Retrograde endocannabinoid signaling
map04724  Glutamatergic synapse
map04727  GABAergic synapse
map04730  Long-term depression
map04742  Taste transduction
map04964  Proximal tubule bicarbonate reclamation
map04974  Protein digestion and absorption
map05014  Amyotrophic lateral sclerosis (ALS)
map05016  Huntington disease
map05017  Spinocerebellar ataxia
map05030  Cocaine addiction
map05031  Amphetamine addiction
map05033  Nicotine addiction
map05034  Alcoholism
map05230  Central carbon metabolism in cancer
Module
M00015  Proline biosynthesis, glutamate => proline
M00027  GABA (gamma-Aminobutyrate) shunt
M00028  Ornithine biosynthesis, glutamate => ornithine
M00045  Histidine degradation, histidine => N-formiminoglutamate => glutamate
M00118  Glutathione biosynthesis, glutamate => glutathione
M00121  Heme biosynthesis, plants and bacteria, glutamate => heme
M00532  Photorespiration
M00740  Methylaspartate cycle
M00763  Ornithine biosynthesis, mediated by LysW, glutamate => ornithine
M00845  Arginine biosynthesis, glutamate => acetylcitrulline => arginine
M00846  Siroheme biosynthesis, glutamate => siroheme
M00879  Arginine succinyltransferase pathway, arginine => glutamate
Enzyme
1.2.1.88        1.4.1.2         1.4.1.3         1.4.1.4         
1.4.1.13        1.4.1.14        1.4.3.11        1.4.7.1         
1.5.1.9         1.5.1.10        1.5.3.18        1.5.99.5        
2.1.1.21        2.1.2.5         2.3.1.1         2.3.1.14        
2.3.1.35        2.3.2.2         2.3.2.-         2.4.2.14        
2.5.1.140       2.6.1.1         2.6.1.2         2.6.1.3         
2.6.1.4         2.6.1.5         2.6.1.6         2.6.1.7         
2.6.1.8         2.6.1.9         2.6.1.11        2.6.1.13        
2.6.1.16        2.6.1.17        2.6.1.19        2.6.1.22        
2.6.1.23        2.6.1.24        2.6.1.26        2.6.1.27        
2.6.1.29        2.6.1.33        2.6.1.34        2.6.1.36        
2.6.1.38        2.6.1.39        2.6.1.40        2.6.1.42        
2.6.1.44        2.6.1.48        2.6.1.49        2.6.1.52        
2.6.1.55        2.6.1.57        2.6.1.59        2.6.1.65        
2.6.1.67        2.6.1.72        2.6.1.75        2.6.1.76        
2.6.1.79        2.6.1.80        2.6.1.81        2.6.1.82        
2.6.1.83        2.6.1.85        2.6.1.86        2.6.1.87        
2.6.1.89        2.6.1.90        2.6.1.92        2.6.1.93        
2.6.1.94        2.6.1.95        2.6.1.98        2.6.1.102       
2.6.1.103       2.6.1.104       2.6.1.106       2.6.1.107       
2.6.1.109       2.6.1.110       2.6.1.111       2.6.1.114       
2.6.1.116       2.6.1.118       2.6.1.-         2.7.2.11        
2.7.2.13        3.4.17.21       3.4.19.9        3.4.19.13       
3.4.19.14       3.4.19.16       3.5.1.2         3.5.1.38        
3.5.1.55        3.5.1.65        3.5.1.68        3.5.1.87        
3.5.1.94        3.5.1.96        3.5.1.118       3.5.1.123       
3.5.1.129       3.5.2.9         3.5.3.8         4.1.1.15        
4.1.3.27        4.2.1.168       4.3.2.10        4.3.3.6         
5.1.1.3         5.4.3.9         5.4.99.1        6.1.1.17        
6.1.1.24        6.2.1.39        6.3.1.2         6.3.1.6         
6.3.1.11        6.3.1.17        6.3.1.18        6.3.2.2         
6.3.2.12        6.3.2.17        6.3.2.18        6.3.2.31        
6.3.2.32        6.3.2.33        6.3.2.34        6.3.2.41        
6.3.2.42        6.3.2.53        6.3.2.-         6.3.4.2         
6.3.4.12        6.3.4.24        6.3.5.1         6.3.5.2         
6.3.5.3         6.3.5.4         6.3.5.5         6.3.5.6         
6.3.5.7         6.3.5.9         6.3.5.10        6.3.5.11        
6.3.5.12        6.3.5.13        6.3.5.-
 » show all
Brite
Compounds with biological roles [BR:br08001]
 Peptides
  Amino acids
   Common amino acids
    C00025  Glutamic acid (Glu)
 Hormones and transmitters
  Neurotransmitters
   Amino acids
    C00025  Glutamate
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Glutamic acid
    D00007  Glutamic acid (USP)
Pharmaceutical additives in Japan [BR:br08316]
 Buffering agent
  D00007  [003613] L-Glutamic acid
 Flavoring substance
  D00007  [003613] L-Glutamic acid
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00007  L-Glutamic acid
Other DBs
CAS: 56-86-0
PubChem: 3327
ChEBI: 16015
ChEMBL: CHEMBL575060
KNApSAcK: C00001358
PDB-CCD: GGL[PDBj] GLU[PDBj]
3DMET: B00007
NIKKAJI: J9.171E
KCF data

ATOM        10
            1   C1c C    23.8372  -17.4608
            2   C1b C    25.0252  -16.7233
            3   C6a C    22.6023  -16.7994
            4   N1a N    23.8781  -18.8595
            5   C1b C    26.2601  -17.3788
            6   O6a O    21.4434  -17.5954
            7   O6a O    22.6198  -15.4007
            8   C6a C    27.4482  -16.6414
            9   O6a O    28.6830  -17.3028
            10  O6a O    27.4714  -15.2426
BOND        9
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1
            5     3   6 1
            6     3   7 2
            7     5   8 1
            8     8   9 1
            9     8  10 2

» Japanese version

KEGG   COMPOUND: C16041
Entry
C16041                      Compound                               

Name
Leu-enkephalin
Sequence
Tyr Gly Gly Phe Leu
  Organism
Homo sapiens [HSA:5179 5173]
  Type
Peptide
Pathway
map04721  Synaptic vesicle cycle
Brite
Compounds with biological roles [BR:br08001]
 Hormones and transmitters
  Peptide hormones
   Enkephalin
    C16041  Leu-enkephalin
Bioactive peptides [BR:br08005]
 Neuropeptides
  Endogenous opioid peptide
   C16041  Leu-enkephalin
Target-based classification of compounds [BR:br08010]
 G Protein-coupled receptors
  Rhodopsin family: peptide receptors
   Opioid
    delta-opioid receptor
     C16041  Leu-enkephalin
    mu-opioid receptor
     C16041  Leu-enkephalin
Other DBs
PubChem: 47205351
ChEBI: 80263
NIKKAJI: J247.065I

» Japanese version

KEGG   COMPOUND: C00037
Entry
C00037                      Compound                               

Name
Glycine;
Aminoacetic acid;
Gly
Formula
C2H5NO2
Exact mass
75.032
Mol weight
75.0666
Structure
Remark
Same as: D00011
Reaction
Pathway
map00120  Primary bile acid biosynthesis
map00230  Purine metabolism
map00260  Glycine, serine and threonine metabolism
map00310  Lysine degradation
map00440  Phosphonate and phosphinate metabolism
map00460  Cyanoamino acid metabolism
map00480  Glutathione metabolism
map00630  Glyoxylate and dicarboxylate metabolism
map00680  Methane metabolism
map00730  Thiamine metabolism
map00860  Porphyrin and chlorophyll metabolism
map00970  Aminoacyl-tRNA biosynthesis
map00997  Biosynthesis of various secondary metabolites - part 3
map01060  Biosynthesis of plant secondary metabolites
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
map01120  Microbial metabolism in diverse environments
map01200  Carbon metabolism
map01230  Biosynthesis of amino acids
map01502  Vancomycin resistance
map02010  ABC transporters
map02026  Biofilm formation - Escherichia coli
map04080  Neuroactive ligand-receptor interaction
map04721  Synaptic vesicle cycle
map04974  Protein digestion and absorption
map04978  Mineral absorption
map05230  Central carbon metabolism in cancer
Module
M00346  Formaldehyde assimilation, serine pathway
M00532  Photorespiration
M00868  Heme biosynthesis, animals and fungi, glycine => heme
Enzyme
1.4.1.1         1.4.1.10        1.4.2.1         1.4.3.3         
1.4.3.19        1.4.4.2         1.4.99.5        1.5.1.22        
1.5.3.1         1.5.8.3         1.8.1.4         1.13.11.78      
1.21.4.2        2.1.1.20        2.1.1.156       2.1.1.162       
2.1.2.1         2.1.2.4         2.1.2.10        2.1.4.1         
2.3.1.13        2.3.1.29        2.3.1.37        2.3.1.65        
2.3.1.71        2.3.1.192       2.3.1.-         2.3.2.15        
2.3.2.-         2.4.2.59        2.4.2.60        2.6.1.4         
2.6.1.35        2.6.1.44        2.6.1.45        2.6.1.60        
2.6.1.63        2.6.1.73        2.6.1.96        2.6.1.112       
3.4.11.1        3.4.11.2        3.4.11.23       3.4.13.23       
3.4.13.-        3.5.1.24        3.5.1.32        3.5.1.58        
3.5.1.71        3.5.3.2         4.1.2.5         4.1.2.26        
4.1.2.42        4.1.2.48        4.1.2.49        4.1.2.-         
4.1.3.14        4.1.3.41        6.1.1.14        6.3.2.3         
6.3.4.13
 » show all
Brite
Compounds with biological roles [BR:br08001]
 Peptides
  Amino acids
   Common amino acids
    C00037  Glycine (Gly)
 Hormones and transmitters
  Neurotransmitters
   Amino acids
    C00037  Glycine
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 B BLOOD AND BLOOD FORMING ORGANS
  B05 BLOOD SUBSTITUTES AND PERFUSION SOLUTIONS
   B05C IRRIGATING SOLUTIONS
    B05CX Other irrigating solutions
     B05CX03 Glycine
      D00011  Glycine (JP17/USP) <US>
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Glycine
    D00011  Glycine (JP17/USP)
Pharmaceutical additives in Japan [BR:br08316]
 Stabilizing agent
  D00011  [102546] Glycine
 Buffering agent
  D00011  [102546] Glycine
 Sweetening agent
  D00011  [102546] Glycine
 Base
  D00011  [102546] Glycine
 Flavoring substance
  D00011  [102546] Glycine
 Suspending agent
  D00011  [102546] Glycine
 pH regulator
  D00011  [102546] Glycine
 Diluting agent
  D00011  [102546] Glycine
 Solubilization agent
  D00011  [102546] Glycine
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00011  Glycine
Other DBs
CAS: 56-40-6
PubChem: 3339
ChEBI: 15428
ChEMBL: CHEMBL773
KNApSAcK: C00001361
PDB-CCD: GLY[PDBj]
3DMET: B01136
NIKKAJI: J1.163K
KCF data

ATOM        5
            1   C6a C    24.9184  -17.1304
            2   C1b C    26.0707  -17.8870
            3   O6a O    23.6903  -17.8231
            4   O6a O    24.9418  -15.7279
            5   N1a N    27.2837  -17.2772
BOND        4
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1

» Japanese version

KEGG   COMPOUND: C00547
Entry
C00547                      Compound                               

Name
L-Noradrenaline;
Noradrenaline;
Norepinephrine;
Arterenol;
4-[(1R)-2-Amino-1-hydroxyethyl]-1,2-benzenediol
Formula
C8H11NO3
Exact mass
169.0739
Mol weight
169.1778
Structure
Remark
Same as: D00076
Reaction
Pathway
map00350  Tyrosine metabolism
map01100  Metabolic pathways
map02020  Two-component system
map02024  Quorum sensing
map04024  cAMP signaling pathway
map04080  Neuroactive ligand-receptor interaction
map04261  Adrenergic signaling in cardiomyocytes
map04270  Vascular smooth muscle contraction
map04540  Gap junction
map04714  Thermogenesis
map04721  Synaptic vesicle cycle
map04742  Taste transduction
map04923  Regulation of lipolysis in adipocytes
map04924  Renin secretion
map04970  Salivary secretion
Module
M00042  Catecholamine biosynthesis, tyrosine => dopamine => noradrenaline => adrenaline
Enzyme
1.4.3.4         1.14.17.1       2.1.1.6         2.1.1.28
Brite
Compounds with biological roles [BR:br08001]
 Hormones and transmitters
  Other hormones
   Adrenalines
    C00547  Noradrenaline
  Neurotransmitters
   Biogenic amines
    C00547  Norepinephrine; Noradrenaline
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C01 CARDIAC THERAPY
   C01C CARDIAC STIMULANTS EXCL. CARDIAC GLYCOSIDES
    C01CA Adrenergic and dopaminergic agents
     C01CA03 Norepinephrine
      D00076  Noradrenaline (JP17) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  24  Hormones
   245  Adrenal hormone preparations
    2451  Epinephrines
     D00076  Noradrenaline (JP17); Norepinephrine (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRA1
     D00076  Noradrenaline (JP17) <JP>
    ADRA2
     D00076  Noradrenaline (JP17) <JP>
    ADRB
     D00076  Noradrenaline (JP17) <JP>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00076  Noradrenaline
  D00076  Noradrenaline injection
Other DBs
CAS: 51-41-2
PubChem: 3828
ChEBI: 18357
ChEMBL: CHEMBL1437
KNApSAcK: C00001424
PDB-CCD: E5E[PDBj] LNR[PDBj]
3DMET: B01285
NIKKAJI: J9.223A
KCF data

ATOM        12
            1   C8y C    25.1107  -17.0137
            2   C8x C    25.1107  -18.4285
            3   C8x C    23.8950  -16.3188
            4   C1c C    26.3149  -16.3188
            5   C8x C    23.8950  -19.1423
            6   C8y C    22.6850  -17.0137
            7   C1b C    27.5246  -17.0080
            8   O1a O    26.3149  -14.9217
            9   C8y C    22.6850  -18.4285
            10  N1a N    28.7227  -16.3130
            11  O1a O    21.4681  -19.1189
            12  O1a O    21.4728  -16.3208
BOND        12
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 2
            6     4   7 1
            7     4   8 1 #Up
            8     5   9 2
            9     7  10 1
            10    9  11 1
            11    6   9 1
            12    6  12 1

» Japanese version

KEGG   COMPOUND: C00780
Entry
C00780                      Compound                               

Name
Serotonin;
3-(2-Aminoethyl)-1H-indol-5-ol;
5-Hydroxytryptamine;
Enteramine
Formula
C10H12N2O
Exact mass
176.095
Mol weight
176.2151
Structure
Reaction
Pathway
map00380  Tryptophan metabolism
map01063  Biosynthesis of alkaloids derived from shikimate pathway
map01100  Metabolic pathways
map04024  cAMP signaling pathway
map04080  Neuroactive ligand-receptor interaction
map04361  Axon regeneration
map04540  Gap junction
map04721  Synaptic vesicle cycle
map04726  Serotonergic synapse
map04742  Taste transduction
map04750  Inflammatory mediator regulation of TRP channels
map04976  Bile secretion
map07211  Serotonin receptor agonists/antagonists
Module
M00037  Melatonin biosynthesis, tryptophan => serotonin => melatonin
Enzyme
1.4.3.4         1.13.11.52      2.1.1.49        2.1.1.-         
2.3.1.87        4.1.1.28
Brite
Compounds with biological roles [BR:br08001]
 Peptides
  Amines
   Biogenic amines
    C00780  Serotonin
 Hormones and transmitters
  Neurotransmitters
   Biogenic amines
    C00780  Serotonin
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tryptophan and anthranilic acid
   Indole alkaloids
    C00780  Serotonin
Other DBs
CAS: 50-67-9
PubChem: 4041
ChEBI: 28790
ChEMBL: CHEMBL39
KNApSAcK: C00001429
PDB-CCD: SRO[PDBj]
3DMET: B00173
NIKKAJI: J4.107F
KCF data

ATOM        13
            1   C8y C    25.4100  -15.8900
            2   C8y C    25.4100  -14.4900
            3   C8y C    26.7400  -16.3100
            4   C8x C    24.1500  -16.5900
            5   N4x N    26.6700  -14.0700
            6   C8x C    24.1500  -13.7900
            7   C8x C    27.5100  -15.1900
            8   C8y C    22.9600  -15.8900
            9   C8x C    22.9600  -14.4900
            10  O1a O    21.7700  -16.6600
            11  C1b C    27.2300  -17.6400
            12  C1b C    28.5600  -17.9200
            13  N1a N    29.5400  -16.8000
BOND        14
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     4   8 2
            8     6   9 2
            9     8  10 1
            10    5   7 1
            11    8   9 1
            12    3  11 1
            13   11  12 1
            14   12  13 1

» Japanese version

KEGG   COMPOUND: C00002
Entry
C00002                      Compound                               

Name
ATP;
Adenosine 5'-triphosphate
Formula
C10H16N5O13P3
Exact mass
506.9957
Mol weight
507.181
Structure
Remark
Same as: D08646
Reaction
R00002 R00076 R00085 R00086 R00087 R00088 R00089 R00104
R00105 R00124 R00126 R00127 R00128 R00129 R00130 R00137
R00139 R00140 R00141 R00149 R00150 R00156 R00158 R00161
R00162 R00174 R00177 R00184 R00185 R00189 R00199 R00200
R00206 R00229 R00235 R00239 R00241 R00251 R00253 R00257
R00283 R00299 R00315 R00316 R00330 R00331 R00332 R00334
R00341 R00344 R00352 R00381 R00389 R00390 R00405 R00429
R00435 R00436 R00480 R00482 R00483 R00497 R00509 R00512
R00513 R00518 R00529 R00549 R00554 R00570 R00571 R00573
R00575 R00578 R00616 R00617 R00619 R00686 R00722 R00735
R00742 R00756 R00760 R00774 R00847 R00866 R00867 R00894
R00910 R00912 R00920 R00925 R00942 R00943 R00948 R00949
R00964 R00982 R01011 R01021 R01049 R01050 R01051 R01053
R01059 R01071 R01074 R01075 R01092 R01121 R01131 R01137
R01150 R01164 R01176 R01201 R01228 R01230 R01231 R01256
R01280 R01300 R01322 R01326 R01353 R01354 R01357 R01395
R01406 R01407 R01417 R01422 R01441 R01468 R01476 R01490
R01492 R01495 R01504 R01512 R01514 R01523 R01526 R01541
R01547 R01558 R01567 R01573 R01585 R01598 R01600 R01616
R01618 R01639 R01654 R01665 R01666 R01688 R01723 R01724
R01737 R01754 R01771 R01786 R01843 R01844 R01857 R01859
R01881 R01888 R01901 R01902 R01909 R01917 R01926 R01943
R01954 R01961 R01967 R01980 R01991 R02014 R02071 R02089
R02090 R02093 R02094 R02098 R02099 R02134 R02136 R02184
R02194 R02221 R02225 R02226 R02227 R02237 R02238 R02240
R02245 R02255 R02301 R02303 R02324 R02326 R02331 R02402
R02404 R02412 R02430 R02439 R02451 R02473 R02493 R02539
R02575 R02584 R02625 R02626 R02649 R02650 R02658 R02664
R02699 R02705 R02711 R02718 R02732 R02741 R02750 R02757
R02758 R02783 R02786 R02788 R02794 R02848 R02865 R02884
R02903 R02918 R02927 R02929 R02971 R02976 R02980 R02986
R03005 R03014 R03018 R03035 R03038 R03095 R03098 R03150
R03157 R03161 R03182 R03187 R03193 R03209 R03236 R03241
R03245 R03258 R03272 R03274 R03286 R03298 R03315 R03347
R03361 R03362 R03383 R03384 R03387 R03395 R03428 R03429
R03433 R03449 R03469 R03471 R03473 R03478 R03479 R03494
R03503 R03516 R03530 R03576 R03595 R03607 R03613 R03631
R03632 R03646 R03647 R03648 R03650 R03651 R03652 R03654
R03655 R03656 R03657 R03658 R03659 R03660 R03661 R03662
R03663 R03664 R03665 R03691 R03744 R03754 R03766 R03770
R03780 R03785 R03819 R03822 R03840 R03876 R03877 R03905
R03920 R03932 R03939 R03944 R04002 R04023 R04030 R04036
R04068 R04126 R04138 R04143 R04144 R04157 R04208 R04212
R04230 R04235 R04241 R04267 R04274 R04275 R04358 R04369
R04385 R04388 R04391 R04401 R04403 R04448 R04449 R04463
R04504 R04507 R04509 R04545 R04555 R04562 R04563 R04573
R04580 R04582 R04589 R04591 R04604 R04617 R04657 R04730
R04771 R04773 R04779 R04870 R04928 R04929 R05030 R05185
R05186 R05193 R05197 R05202 R05220 R05221 R05224 R05225
R05227 R05451 R05452 R05453 R05467 R05496 R05537 R05577
R05578 R05620 R05625 R05626 R05634 R05644 R05646 R05661
R05668 R05735 R05744 R05795 R05799 R05800 R05801 R05802
R05803 R05806 R05815 R06176 R06282 R06367 R06368 R06396
R06409 R06410 R06515 R06529 R06531 R06583 R06588 R06731
R06746 R06751 R06777 R06778 R06836 R06944 R06974 R06975
R06976 R07127 R07268 R07279 R07302 R07325 R07404 R07414
R07416 R07459 R07640 R07641 R07642 R07643 R07644 R07646
R07770 R07828 R07887 R08051 R08088 R08117 R08124 R08154
R08201 R08217 R08218 R08223 R08232 R08233 R08241 R08242
R08244 R08323 R08352 R08353 R08354 R08355 R08480 R08572
R08576 R08578 R08700 R08733 R08738 R08743 R08844 R08855
R08872 R08905 R08906 R08924 R08962 R08964 R08967 R08968
R09047 R09053 R09060 R09087 R09195 R09279 R09286 R09378
R09379 R09382 R09386 R09401 R09475 R09588 R09589 R09590
R09591 R09592 R09593 R09594 R09595 R09596 R09597 R09598
R09599 R09640 R09675 R09726 R09729 R09767 R09770 R09775
R09776 R09879 R09880 R09945 R09946 R09978 R10003 R10011
R10065 R10090 R10091 R10093 R10185 R10288 R10342 R10453
R10462 R10463 R10470 R10495 R10496 R10531 R10541 R10548
R10556 R10561 R10657 R10661 R10677 R10678 R10679 R10693
R10758 R10767 R10768 R10769 R10770 R10771 R10772 R10779
R10780 R10820 R10821 R10880 R10892 R10901 R10902 R10909
R10910 R10929 R10930 R10940 R10941 R10942 R10943 R10944
R10948 R10951 R10953 R10970 R10993 R10994 R11024 R11039
R11064 R11084 R11085 R11090 R11143 R11183 R11184 R11185
R11207 R11234 R11279 R11367 R11370 R11392 R11400 R11406
R11460 R11461 R11515 R11531 R11536 R11537 R11538 R11553
R11554 R11608 R11627 R11628 R11629 R11632 R11634 R11662
R11673 R11679 R11706 R11707 R11723 R11775 R11784 R11803
R11872 R11891 R11892 R11894 R11895 R11922 R11924 R11926
R11933 R11941 R11950 R11964 R12056 R12059 R12062 R12063
R12066 R12084 R12099 R12148 R12183 R12184 R12235 R12245
R12246 R12271 R12272 R12293 R12300 R12308 R12311 R12312
R12330 R12344 R12352 R12353 R12354 R12393 R12395 R12396
R12398 R12417 R12419 R12429 R12433 R12434 R12449 R12485
R12494 R12495 R12530 R12572 R12573 R12575 R12576 R12590
R12596 R12598 R12599
 » show all
Pathway
map00190  Oxidative phosphorylation
map00195  Photosynthesis
map00230  Purine metabolism
map00908  Zeatin biosynthesis
map00998  Biosynthesis of various secondary metabolites - part 2
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
map03070  Bacterial secretion system
map04020  Calcium signaling pathway
map04066  HIF-1 signaling pathway
map04080  Neuroactive ligand-receptor interaction
map04142  Lysosome
map04217  Necroptosis
map04611  Platelet activation
map04621  NOD-like receptor signaling pathway
map04714  Thermogenesis
map04721  Synaptic vesicle cycle
map04742  Taste transduction
map04750  Inflammatory mediator regulation of TRP channels
map04911  Insulin secretion
map04917  Prolactin signaling pathway
map04924  Renin secretion
map04930  Type II diabetes mellitus
map05012  Parkinson disease
map05133  Pertussis
map05410  Hypertrophic cardiomyopathy (HCM)
Module
M00049  Adenine ribonucleotide biosynthesis, IMP => ADP,ATP
M00889  Puromycin biosynthesis, ATP => puromycin
Enzyme
1.1.98.6        1.2.1.30        1.2.1.95        1.2.1.101       
1.3.7.7         1.3.7.8         1.3.7.14        1.3.7.15        
1.13.12.7       1.17.4.2        1.18.6.1        1.18.6.2        
1.19.6.1        1.-.-.-         2.1.2.-         2.3.3.8         
2.4.2.17        2.4.2.52        2.5.1.6         2.5.1.17        
2.5.1.112       2.7.1.1         2.7.1.2         2.7.1.3         
2.7.1.4         2.7.1.5         2.7.1.6         2.7.1.7         
2.7.1.8         2.7.1.10        2.7.1.11        2.7.1.12        
2.7.1.13        2.7.1.14        2.7.1.15        2.7.1.16        
2.7.1.17        2.7.1.18        2.7.1.19        2.7.1.20        
2.7.1.21        2.7.1.22        2.7.1.23        2.7.1.24        
2.7.1.25        2.7.1.26        2.7.1.27        2.7.1.28        
2.7.1.29        2.7.1.30        2.7.1.31        2.7.1.32        
2.7.1.33        2.7.1.34        2.7.1.35        2.7.1.36        
2.7.1.39        2.7.1.40        2.7.1.43        2.7.1.44        
2.7.1.45        2.7.1.46        2.7.1.47        2.7.1.48        
2.7.1.49        2.7.1.50        2.7.1.51        2.7.1.52        
2.7.1.53        2.7.1.54        2.7.1.55        2.7.1.56        
2.7.1.58        2.7.1.59        2.7.1.60        2.7.1.64        
2.7.1.65        2.7.1.66        2.7.1.67        2.7.1.68        
2.7.1.71        2.7.1.72        2.7.1.73        2.7.1.74        
2.7.1.76        2.7.1.78        2.7.1.82        2.7.1.83        
2.7.1.84        2.7.1.85        2.7.1.86        2.7.1.87        
2.7.1.88        2.7.1.89        2.7.1.91        2.7.1.92        
2.7.1.93        2.7.1.94        2.7.1.95        2.7.1.100       
2.7.1.101       2.7.1.102       2.7.1.103       2.7.1.105       
2.7.1.107       2.7.1.113       2.7.1.119       2.7.1.122       
2.7.1.127       2.7.1.130       2.7.1.134       2.7.1.136       
2.7.1.137       2.7.1.138       2.7.1.140       2.7.1.144       
2.7.1.145       2.7.1.148       2.7.1.149       2.7.1.150       
2.7.1.151       2.7.1.153       2.7.1.154       2.7.1.156       
2.7.1.157       2.7.1.158       2.7.1.159       2.7.1.162       
2.7.1.163       2.7.1.164       2.7.1.165       2.7.1.166       
2.7.1.167       2.7.1.168       2.7.1.169       2.7.1.170       
2.7.1.173       2.7.1.175       2.7.1.176       2.7.1.177       
2.7.1.178       2.7.1.179       2.7.1.181       2.7.1.183       
2.7.1.184       2.7.1.185       2.7.1.186       2.7.1.187       
2.7.1.188       2.7.1.189       2.7.1.209       2.7.1.210       
2.7.1.213       2.7.1.214       2.7.1.215       2.7.1.217       
2.7.1.218       2.7.1.219       2.7.1.220       2.7.1.221       
2.7.1.222       2.7.1.223       2.7.1.224       2.7.1.225       
2.7.1.229       2.7.1.230       2.7.1.-         2.7.2.1         
2.7.2.2         2.7.2.3         2.7.2.4         2.7.2.6         
2.7.2.7         2.7.2.8         2.7.2.11        2.7.2.13        
2.7.2.14        2.7.2.15        2.7.2.16        2.7.2.17        
2.7.2.-         2.7.3.1         2.7.3.2         2.7.3.3         
2.7.3.4         2.7.3.5         2.7.3.6         2.7.3.7         
2.7.3.8         2.7.3.10        2.7.3.13        2.7.4.1         
2.7.4.2         2.7.4.3         2.7.4.4         2.7.4.6         
2.7.4.7         2.7.4.8         2.7.4.9         2.7.4.11        
2.7.4.12        2.7.4.13        2.7.4.14        2.7.4.15        
2.7.4.16        2.7.4.18        2.7.4.19        2.7.4.21        
2.7.4.22        2.7.4.23        2.7.4.24        2.7.4.25        
2.7.4.26        2.7.4.31        2.7.4.-         2.7.6.1         
2.7.6.2         2.7.6.3         2.7.6.4         2.7.6.5         
2.7.7.1         2.7.7.2         2.7.7.3         2.7.7.4         
2.7.7.6         2.7.7.18        2.7.7.19        2.7.7.27        
2.7.7.42        2.7.7.46        2.7.7.47        2.7.7.48        
2.7.7.53        2.7.7.58        2.7.7.70        2.7.7.72        
2.7.7.73        2.7.7.75        2.7.7.80        2.7.7.84        
2.7.7.85        2.7.7.86        2.7.7.87        2.7.7.96        
2.7.7.97        2.7.7.100       2.7.8.37        2.7.9.1         
2.7.9.2         2.7.9.3         2.7.9.6         2.7.9.-         
2.7.10.1        2.7.10.2        2.7.11.1        2.7.11.2        
2.7.11.3        2.7.11.4        2.7.11.5        2.7.11.6        
2.7.11.7        2.7.11.8        2.7.11.9        2.7.11.10       
2.7.11.11       2.7.11.12       2.7.11.13       2.7.11.14       
2.7.11.15       2.7.11.17       2.7.11.18       2.7.11.19       
2.7.11.21       2.7.11.22       2.7.11.23       2.7.11.24       
2.7.11.25       2.7.11.26       2.7.11.27       2.7.11.28       
2.7.11.29       2.7.11.30       2.7.11.31       2.7.12.1        
2.7.12.2        2.7.13.1        2.7.13.2        2.7.14.1        
2.8.1.13        3.5.2.9         3.5.2.14        3.5.4.17        
3.5.4.18        3.6.1.3         3.6.1.5         3.6.1.8         
3.6.1.9         3.6.1.14        3.6.1.15        3.6.1.17        
3.6.1.61        4.1.1.33        4.1.1.49        4.1.1.99        
4.2.1.93        4.4.1.37        4.6.1.1         4.6.1.-         
5.1.1.11        5.1.1.23        6.1.1.1         6.1.1.2         
6.1.1.3         6.1.1.4         6.1.1.5         6.1.1.6         
6.1.1.7         6.1.1.9         6.1.1.10        6.1.1.11        
6.1.1.12        6.1.1.13        6.1.1.14        6.1.1.15        
6.1.1.16        6.1.1.17        6.1.1.18        6.1.1.19        
6.1.1.20        6.1.1.21        6.1.1.22        6.1.1.23        
6.1.1.24        6.1.1.26        6.1.1.27        6.1.2.1         
6.1.2.2         6.1.3.1         6.2.1.1         6.2.1.2         
6.2.1.3         6.2.1.5         6.2.1.6         6.2.1.7         
6.2.1.8         6.2.1.9         6.2.1.11        6.2.1.12        
6.2.1.13        6.2.1.14        6.2.1.15        6.2.1.16        
6.2.1.17        6.2.1.18        6.2.1.19        6.2.1.20        
6.2.1.22        6.2.1.23        6.2.1.24        6.2.1.25        
6.2.1.26        6.2.1.27        6.2.1.28        6.2.1.30        
6.2.1.31        6.2.1.32        6.2.1.33        6.2.1.34        
6.2.1.35        6.2.1.36        6.2.1.37        6.2.1.38        
6.2.1.39        6.2.1.40        6.2.1.41        6.2.1.42        
6.2.1.43        6.2.1.44        6.2.1.46        6.2.1.47        
6.2.1.48        6.2.1.50        6.2.1.51        6.2.1.52        
6.2.1.53        6.2.1.56        6.2.1.57        6.2.1.58        
6.2.1.60        6.2.1.62        6.2.1.63        6.2.1.-         
6.3.1.1         6.3.1.2         6.3.1.4         6.3.1.5         
6.3.1.6         6.3.1.7         6.3.1.8         6.3.1.9         
6.3.1.10        6.3.1.11        6.3.1.12        6.3.1.13        
6.3.1.14        6.3.1.15        6.3.1.17        6.3.1.18        
6.3.1.19        6.3.1.20        6.3.2.1         6.3.2.2         
6.3.2.3         6.3.2.4         6.3.2.6         6.3.2.7         
6.3.2.8         6.3.2.9         6.3.2.10        6.3.2.11        
6.3.2.12        6.3.2.13        6.3.2.14        6.3.2.16        
6.3.2.17        6.3.2.18        6.3.2.20        6.3.2.23        
6.3.2.24        6.3.2.25        6.3.2.26        6.3.2.29        
6.3.2.30        6.3.2.32        6.3.2.33        6.3.2.35        
6.3.2.36        6.3.2.37        6.3.2.38        6.3.2.39        
6.3.2.40        6.3.2.41        6.3.2.42        6.3.2.43        
6.3.2.44        6.3.2.45        6.3.2.46        6.3.2.47        
6.3.2.48        6.3.2.49        6.3.2.50        6.3.2.51        
6.3.2.52        6.3.2.53        6.3.2.54        6.3.2.55        
6.3.2.56        6.3.2.57        6.3.2.58        6.3.2.-         
6.3.3.1         6.3.3.2         6.3.3.3         6.3.3.4         
6.3.3.5         6.3.3.6         6.3.3.7         6.3.4.2         
6.3.4.3         6.3.4.5         6.3.4.6         6.3.4.7         
6.3.4.8         6.3.4.9         6.3.4.10        6.3.4.11        
6.3.4.12        6.3.4.13        6.3.4.14        6.3.4.15        
6.3.4.16        6.3.4.17        6.3.4.18        6.3.4.19        
6.3.4.20        6.3.4.21        6.3.4.22        6.3.4.23        
6.3.4.24        6.3.5.1         6.3.5.2         6.3.5.3         
6.3.5.4         6.3.5.5         6.3.5.6         6.3.5.7         
6.3.5.9         6.3.5.10        6.3.5.11        6.3.5.12        
6.3.5.13        6.3.5.-         6.4.1.1         6.4.1.2         
6.4.1.3         6.4.1.4         6.4.1.5         6.4.1.6         
6.4.1.7         6.4.1.8         6.4.1.9         6.5.1.1         
6.5.1.3         6.5.1.4         6.5.1.6         6.5.1.7         
6.6.1.1         6.6.1.2         7.3.2.6
 » show all
Brite
Compounds with biological roles [BR:br08001]
 Nucleic acids
  Nucleotides
   Ribonucleotides
    C00002  ATP
 Vitamins and cofactors
  Cofactors
   Coenzymes
    C00002  ATP
Glycosides [BR:br08021]
 N-glycosides
  C00002  ATP
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C01 CARDIAC THERAPY
   C01E OTHER CARDIAC PREPARATIONS
    C01EB Other cardiac preparations
     C01EB10 Adenosine
      D08646  Triphosadenine (DCF)
Risk category of Japanese OTC drugs [BR:br08312]
 Second-class OTC drugs
  Inorganic and organic chemicals
   Adenosinetriphosphoric acid
    D08646  Triphosadenine (DCF)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adenosine
    ADORA
     D08646  Triphosadenine (DCF)
Other DBs
CAS: 56-65-5
PubChem: 3304
ChEBI: 15422
ChEMBL: CHEMBL14249
KNApSAcK: C00001491
PDB-CCD: ATP[PDBj]
3DMET: B01125
NIKKAJI: J10.680A
KCF data

ATOM        31
            1   N4y N    29.4250  -14.6015
            2   C8y C    30.4825  -15.3378
            3   C1y C    28.1393  -15.0165
            4   C8x C    29.9040  -13.2050
            5   C8y C    31.7155  -14.4321
            6   N5x N    30.6227  -16.7578
            7   O2x O    26.9999  -14.1633
            8   C1y C    27.7071  -16.2669
            9   N5x N    31.3532  -13.2108
            10  C8y C    32.9718  -14.9814
            11  C8x C    31.9434  -17.3478
            12  C1y C    25.8897  -14.9580
            13  C1y C    26.3221  -16.2669
            14  O1a O    28.5133  -17.4063
            15  N5x N    33.1353  -16.4655
            16  N1a N    34.0819  -14.1575
            17  C1b C    24.5691  -14.5315
            18  O1a O    25.8780  -17.5874
            19  O2b O    23.5349  -15.4664
            20  P1b P    22.1325  -15.4664
            21  O2c O    20.7361  -15.4664
            22  O1c O    22.1268  -16.8629
            23  O1c O    22.1268  -14.0698
            24  P1b P    19.3394  -15.4605
            25  O2c O    17.9430  -15.4605
            26  O1c O    19.3337  -16.8571
            27  O1c O    19.3337  -14.0581
            28  P1b P    16.5406  -15.4547
            29  O1c O    16.5348  -16.8512
            30  O1c O    15.1441  -15.4430
            31  O1c O    16.5348  -14.0523
BOND        33
            1     1   2 1
            2     3   1 1 #Up
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    6  11 2
            11    7  12 1
            12    8  13 1
            13    8  14 1 #Down
            14   10  15 2
            15   10  16 1
            16   12  17 1 #Up
            17   13  18 1 #Down
            18   17  19 1
            19   19  20 1
            20   20  21 1
            21   20  22 1
            22   20  23 2
            23   21  24 1
            24   24  25 1
            25   24  26 1
            26   24  27 2
            27   25  28 1
            28   28  29 1
            29   28  30 1
            30   28  31 2
            31    5   9 1
            32   11  15 1
            33   12  13 1

» Japanese version

KEGG   COMPOUND: C00388
Entry
C00388                      Compound                               

Name
Histamine;
1H-Imidazole-4-ethanamine;
2-(4-Imidazolyl)ethylamine
Formula
C5H9N3
Exact mass
111.0796
Mol weight
111.1451
Structure
Remark
Same as: D08040
Reaction
Pathway
map00340  Histidine metabolism
map01065  Biosynthesis of alkaloids derived from histidine and purine
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
map04080  Neuroactive ligand-receptor interaction
map04664  Fc epsilon RI signaling pathway
map04721  Synaptic vesicle cycle
map04750  Inflammatory mediator regulation of TRP channels
map04971  Gastric acid secretion
map04974  Protein digestion and absorption
map05310  Asthma
map07227  Histamine H2/H3 receptor agonists/antagonists
Enzyme
1.4.3.22        2.1.1.8         2.3.1.-         4.1.1.22        
6.3.2.18
Brite
Compounds with biological roles [BR:br08001]
 Peptides
  Amines
   Biogenic amines
    C00388  Histamine
 Hormones and transmitters
  Other hormones
   Histamine
    C00388  Histamine
  Neurotransmitters
   Biogenic amines
    C00388  Histamine
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    HRH1
     D08040  Histamine (DCF)
    HRH2
     D08040  Histamine (DCF)
    HRH3
     D08040  Histamine (DCF)
    HRH4
     D08040  Histamine (DCF)
Other DBs
CAS: 51-45-6
PubChem: 3678
ChEBI: 18295
ChEMBL: CHEMBL90
KNApSAcK: C00001414
PDB-CCD: HSM[PDBj]
3DMET: B00101
NIKKAJI: J4.117C
KCF data

ATOM        8
            1   C8x C    23.1586  -15.5543
            2   C8y C    22.7262  -16.8922
            3   N4x N    22.0251  -14.7305
            4   N5x N    21.3183  -16.8922
            5   C8x C    20.8859  -15.5543
            6   C1b C    23.9290  -17.5823
            7   C1b C    25.1361  -16.8834
            8   N1a N    26.3433  -17.5753
BOND        8
            1     2   4 1
            2     3   5 1
            3     4   5 2
            4     2   6 1
            5     1   2 2
            6     6   7 1
            7     1   3 1
            8     7   8 1

» Japanese version

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