KEGG   COMPOUND: C00183Help
Entry
C00183                      Compound                               

Name
L-Valine;
2-Amino-3-methylbutyric acid
Formula
C5H11NO2
Exact mass
117.079
Mol weight
117.1463
Structure
Mol fileKCF fileDB search
Remark
Same as: D00039
Reaction
Pathway
map00280  Valine, leucine and isoleucine degradation
map00290  Valine, leucine and isoleucine biosynthesis
map00311  Penicillin and cephalosporin biosynthesis
map00460  Cyanoamino acid metabolism
map00770  Pantothenate and CoA biosynthesis
map00966  Glucosinolate biosynthesis
map00970  Aminoacyl-tRNA biosynthesis
map01060  Biosynthesis of plant secondary metabolites
map01063  Biosynthesis of alkaloids derived from shikimate pathway
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
map01130  Biosynthesis of antibiotics
map01210  2-Oxocarboxylic acid metabolism
map01230  Biosynthesis of amino acids
map02010  ABC transporters
map04974  Protein digestion and absorption
map04978  Mineral absorption
map05230  Central carbon metabolism in cancer
Module
M00019  Valine/isoleucine biosynthesis, pyruvate => valine / 2-oxobutanoate => isoleucine
M00119  Pantothenate biosynthesis, valine/L-aspartate => pantothenate
M00672  Penicillin biosynthesis, aminoadipate + cycteine + valine => penicillin
M00673  Cephamycin C biosynthesis, aminoadipate + cycteine + valine => cephamycin C
Enzyme
1.4.1.8         1.4.1.9         1.4.1.23        1.14.14.38      
1.14.14.39      2.6.1.6         2.6.1.32        2.6.1.42        
2.6.1.66        4.1.1.14        6.1.1.9         6.3.2.26        
6.3.2.47
Brite
Compounds with biological roles [BR:br08001]
 Peptides
  Amino acids
   Common amino acids
    C00183  Valine (Val)
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   L-Valine
    D00039  Valine (USP)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00039  L-Valine
BRITE hierarchy
Other DBs
CAS: 72-18-4
PubChem: 3483
ChEBI: 16414
ChEMBL: CHEMBL43068
KNApSAcK: C00001398
PDB-CCD: VAL[PDBj]
3DMET: B00054
NIKKAJI: J9.179K
KCF data Show

ATOM        8
            1   C1c C    24.8500  -19.0764
            2   C1c C    26.0666  -18.3804
            3   C6a C    23.6334  -18.3629
            4   N1a N    24.8442  -20.4802
            5   C1a C    27.2716  -19.0881
            6   C1a C    26.0725  -16.9825
            7   O6a O    22.4226  -19.0589
            8   O6a O    23.6392  -16.9707
BOND        7
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2

» Japanese version

KEGG   COMPOUND: C00123Help
Entry
C00123                      Compound                               

Name
L-Leucine;
2-Amino-4-methylvaleric acid;
(2S)-alpha-2-Amino-4-methylvaleric acid;
(2S)-alpha-Leucine
Formula
C6H13NO2
Exact mass
131.0946
Mol weight
131.1729
Structure
Mol fileKCF fileDB search
Remark
Same as: D00030
Reaction
Pathway
map00280  Valine, leucine and isoleucine degradation
map00290  Valine, leucine and isoleucine biosynthesis
map00966  Glucosinolate biosynthesis
map00970  Aminoacyl-tRNA biosynthesis
map01060  Biosynthesis of plant secondary metabolites
map01065  Biosynthesis of alkaloids derived from histidine and purine
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
map01210  2-Oxocarboxylic acid metabolism
map01230  Biosynthesis of amino acids
map02010  ABC transporters
map04150  mTOR signaling pathway
map04974  Protein digestion and absorption
map04978  Mineral absorption
map05230  Central carbon metabolism in cancer
Module
M00036  Leucine degradation, leucine => acetoacetate + acetyl-CoA
Enzyme
1.4.1.9         1.14.13.-       2.3.1.66        2.6.1.6         
2.6.1.42        2.6.1.67        3.5.1.64        5.4.3.7         
6.1.1.4         6.3.2.47
Brite
Compounds with biological roles [BR:br08001]
 Peptides
  Amino acids
   Common amino acids
    C00123  Leucine (Leu)
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   L-Leucine
    D00030  Leucine (USP)
Pharmaceutical additives in Japan [BR:br08316]
 Stabilizing agent
  D00030  [003619] L-Leucine
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00030  L-Leucine
BRITE hierarchy
Other DBs
CAS: 61-90-5
PubChem: 3423
ChEBI: 15603
ChEMBL: CHEMBL291962
KNApSAcK: C00001377
PDB-CCD: LEU[PDBj]
3DMET: B00034
NIKKAJI: J1.167C
KCF data Show

ATOM        9
            1   C1c C    25.0761  -19.4138
            2   C1b C    26.2633  -18.6769
            3   C6a C    23.8420  -18.7586
            4   N1a N    25.1229  -20.8173
            5   C1c C    27.4974  -19.3377
            6   O6a O    22.6841  -19.5483
            7   O6a O    23.8654  -17.3551
            8   C1a C    28.6846  -18.6007
            9   C1a C    27.5442  -20.7356
BOND        8
            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     5   9 1

» Japanese version

KEGG   COMPOUND: C00407Help
Entry
C00407                      Compound                               

Name
L-Isoleucine;
2-Amino-3-methylvaleric acid
Formula
C6H13NO2
Exact mass
131.0946
Mol weight
131.1729
Structure
Mol fileKCF fileDB search
Remark
Same as: D00065
Reaction
Pathway
map00280  Valine, leucine and isoleucine degradation
map00290  Valine, leucine and isoleucine biosynthesis
map00460  Cyanoamino acid metabolism
map00960  Tropane, piperidine and pyridine alkaloid biosynthesis
map00966  Glucosinolate biosynthesis
map00970  Aminoacyl-tRNA biosynthesis
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
map01130  Biosynthesis of antibiotics
map01210  2-Oxocarboxylic acid metabolism
map01230  Biosynthesis of amino acids
map02010  ABC transporters
map04974  Protein digestion and absorption
map04978  Mineral absorption
map05230  Central carbon metabolism in cancer
Module
M00019  Valine/isoleucine biosynthesis, pyruvate => valine / 2-oxobutanoate => isoleucine
M00570  Isoleucine biosynthesis, threonine => 2-oxobutanoate => isoleucine
Enzyme
1.4.1.9         1.4.3.2         1.14.11.45      1.14.14.38      
1.14.14.39      2.6.1.32        2.6.1.42        5.1.1.21        
6.1.1.5         6.3.2.47        6.3.2.50
Brite
Compounds with biological roles [BR:br08001]
 Peptides
  Amino acids
   Common amino acids
    C00407  Isoleucine (Ile)
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   L-Isoleucine
    D00065  Isoleucine (USP)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00065  L-Isoleucine
BRITE hierarchy
Other DBs
CAS: 73-32-5
PubChem: 3697
ChEBI: 17191
ChEMBL: CHEMBL1233584 CHEMBL1869615
KNApSAcK: C00001374
PDB-CCD: ILE[PDBj]
3DMET: B01236
NIKKAJI: J2.818E
KCF data Show

ATOM        9
            1   C1c C    22.4922  -17.1397
            2   C1c C    23.6796  -16.4029
            3   C6a C    21.2581  -16.4789
            4   N1a N    22.5391  -18.5377
            5   C1b C    24.9137  -17.0637
            6   C1a C    23.6387  -15.0049
            7   O6a O    20.1001  -17.2742
            8   O6a O    21.2815  -15.0809
            9   C1a C    26.1069  -16.3268
BOND        8
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1
            5     2   6 1 #Up
            6     3   7 1
            7     3   8 2
            8     5   9 1

» Japanese version

KEGG   COMPOUND: C00188Help
Entry
C00188                      Compound                               

Name
L-Threonine;
2-Amino-3-hydroxybutyric acid
Formula
C4H9NO3
Exact mass
119.0582
Mol weight
119.1192
Structure
Mol fileKCF fileDB search
Remark
Same as: D00041
Reaction
Pathway
map00260  Glycine, serine and threonine metabolism
map00261  Monobactam biosynthesis
map00290  Valine, leucine and isoleucine biosynthesis
map00860  Porphyrin and chlorophyll metabolism
map00970  Aminoacyl-tRNA biosynthesis
map01060  Biosynthesis of plant secondary metabolites
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
map01120  Microbial metabolism in diverse environments
map01130  Biosynthesis of antibiotics
map01230  Biosynthesis of amino acids
map02010  ABC transporters
map04974  Protein digestion and absorption
map04978  Mineral absorption
Module
M00018  Threonine biosynthesis, aspartate => homoserine => threonine
M00570  Isoleucine biosynthesis, threonine => 2-oxobutanoate => isoleucine
Enzyme
1.1.1.103       2.2.1.8         2.7.1.177       2.7.7.87        
3.4.-.-         4.1.2.5         4.1.2.48        4.2.3.1         
4.3.1.19        5.1.1.6         6.1.1.3         6.3.2.-
Brite
Compounds with biological roles [BR:br08001]
 Peptides
  Amino acids
   Common amino acids
    C00188  Threonine (Thr)
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   L-Threonine
    D00041  Threonine (USP)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00041  L-Threonine
BRITE hierarchy
Other DBs
CAS: 72-19-5
PubChem: 3488
ChEBI: 16857
ChEMBL: CHEMBL291747
KNApSAcK: C00001394
PDB-CCD: THR[PDBj]
3DMET: B01182
NIKKAJI: J21.883I
KCF data Show

ATOM        8
            1   O6a O    22.5407  -18.2704
            2   C6a C    23.7531  -17.5704
            3   C1c C    24.9657  -18.2704
            4   C1c C    26.1781  -17.5704
            5   C1a C    27.3906  -18.2704
            6   O6a O    23.7531  -16.1705
            7   N1a N    24.9657  -19.6703
            8   O1a O    26.1781  -16.1703
BOND        7
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     2   6 2
            6     3   7 1 #Down
            7     4   8 1 #Down

» Japanese version

KEGG   COMPOUND: C00135Help
Entry
C00135                      Compound                               

Name
L-Histidine;
(S)-alpha-Amino-1H-imidazole-4-propionic acid
Formula
C6H9N3O2
Exact mass
155.0695
Mol weight
155.1546
Structure
Mol fileKCF fileDB search
Remark
Same as: D00032
Reaction
Pathway
map00340  Histidine metabolism
map00410  beta-Alanine metabolism
map00970  Aminoacyl-tRNA biosynthesis
map01060  Biosynthesis of plant secondary metabolites
map01065  Biosynthesis of alkaloids derived from histidine and purine
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
map01230  Biosynthesis of amino acids
map02010  ABC transporters
map04974  Protein digestion and absorption
map05230  Central carbon metabolism in cancer
Module
M00026  Histidine biosynthesis, PRPP => histidine
M00045  Histidine degradation, histidine => N-formiminoglutamate => glutamate
Enzyme
1.1.1.23        1.14.99.52      2.1.1.44        2.1.1.-         
2.3.1.33        2.6.1.38        3.4.13.18       3.4.13.20       
4.1.1.22        4.3.1.3         5.1.1.24        6.1.1.21        
6.3.2.11
Brite
Compounds with biological roles [BR:br08001]
 Peptides
  Amino acids
   Common amino acids
    C00135  Histidine (His)
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   L-Histidine
    D00032  Histidine (USP/INN)
Pharmaceutical additives in Japan [BR:br08316]
 Stabilizing agent
  D00032  [003617] L-Histidine
 Buffering agent
  D00032  [003617] L-Histidine
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00032  L-Histidine
  D00032  L-Histidine hydrochloride hydrate
BRITE hierarchy
Other DBs
CAS: 71-00-1
PubChem: 3435
ChEBI: 15971
ChEMBL: CHEMBL17962
KNApSAcK: C00001363
PDB-CCD: HIS[PDBj]
3DMET: B01171
NIKKAJI: J4.881J
KCF data Show

ATOM        11
            1   C8x C    24.1997  -18.0246
            2   N5x N    24.6612  -19.3463
            3   C8y C    26.0609  -19.3157
            4   C8x C    26.4644  -17.9751
            5   N4x N    25.3141  -17.1771
            6   C1b C    27.2524  -20.0200
            7   C1c C    28.4649  -19.3200
            8   C6a C    29.6773  -20.0200
            9   O6a O    30.8897  -19.3200
            10  O6a O    29.6773  -21.4200
            11  N1a N    28.4649  -17.9202
BOND        11
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     1   5 1
            6     3   6 1
            7     6   7 1
            8     7   8 1
            9     8   9 1
            10    8  10 2
            11    7  11 1 #Down

» Japanese version

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