KEGG   COMPOUND: C00114
Entry
C00114                      Compound                               
Name
Choline;
Bilineurine
Formula
C5H14NO
Exact mass
104.1075
Mol weight
104.1708
Structure
Remark
Same as: D07690
Reaction
R01021 R01022 R01023 R01025 R01026 R01027 R01028 R01029
R01030 R01310 R02381 R02542 R03075 R05739 R05794 R06871
R07377 R07386 R07409 R08212 R08557 R08558 R10285
Pathway
map00260  Glycine, serine and threonine metabolism
map00552  Teichoic acid biosynthesis
map00564  Glycerophospholipid metabolism
map01100  Metabolic pathways
map02010  ABC transporters
map04725  Cholinergic synapse
map04976  Bile secretion
map05231  Choline metabolism in cancer
Module
M00090  Phosphatidylcholine (PC) biosynthesis, choline => PC
M00555  Betaine biosynthesis, choline => betaine
Enzyme
1.1.1.1         1.1.3.17        1.1.99.1        1.14.15.7       
2.3.1.6         2.3.1.91        2.6.-.-         2.7.1.32        
2.7.8.24        2.8.2.6         3.1.1.7         3.1.1.8         
3.1.1.49        3.1.3.75        3.1.4.2         3.1.4.4         
3.1.4.41        3.1.4.46        3.1.6.6         4.3.99.4
Brite
Pesticides [BR:br08007]
 Pesticides
  Plant growth regulators
   Others
    C00114  Choline
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Choline
    C00114  Choline
Other DBs
CAS: 62-49-7
PubChem: 3414
ChEBI: 15354
KNApSAcK: C00007298
PDB-CCD: CHT[PDBj]
3DMET: B00031
NIKKAJI: J4.822D
KCF data

ATOM        7
            1   C1a C     6.1600  -12.6700
            2   N1d N     7.3724  -11.9700 #+
            3   C1b C     8.5849  -12.6700
            4   C1b C     9.7973  -11.9700
            5   O1a O    11.0097  -12.6700
            6   C1a C     7.3724  -10.5702
            7   C1a C     7.3724  -13.3700
BOND        6
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     2   6 1
            6     2   7 1

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   PubChem (1)   
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Gene (31071)   
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KEGG   COMPOUND: C00588
Entry
C00588                      Compound                               
Name
Choline phosphate;
Phosphorylcholine;
Phosphocholine;
O-Phosphocholine
Formula
C5H15NO4P
Exact mass
184.0739
Mol weight
184.1507
Structure
Reaction
R01021 R01312 R01890 R02541 R02591 R06869 R06871 R09538
Pathway
map00552  Teichoic acid biosynthesis
map00564  Glycerophospholipid metabolism
map01100  Metabolic pathways
map05231  Choline metabolism in cancer
Module
M00090  Phosphatidylcholine (PC) biosynthesis, choline => PC
Enzyme
2.1.1.103       2.7.1.32        2.7.7.15        3.1.3.75        
3.1.4.3         3.1.4.12        3.1.4.38        3.6.1.53
Brite
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Phosphorylcholine
    C00588  Choline phosphate
Other DBs
CAS: 107-73-3
PubChem: 3867
ChEBI: 18132
KNApSAcK: C00007299
PDB-CCD: PC[PDBj]
3DMET: B00141
NIKKAJI: J215.288F
KCF data

ATOM        11
            1   C1b C    21.3914  -15.5766
            2   N1d N    20.0039  -16.3850 #+
            3   C1b C    22.4235  -16.1673
            4   C1a C    18.5133  -15.5710
            5   C1a C    20.0039  -18.0477
            6   C1a C    18.5133  -17.2337
            7   O2b O    23.4498  -15.5710
            8   P1b P    24.6251  -15.5710
            9   O1c O    25.8119  -15.5710
            10  O1c O    24.6251  -14.1768
            11  O1c O    24.6251  -16.8263
BOND        10
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     7   8 1
            8     8   9 1
            9     8  10 1
            10    8  11 2

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Chemical substance (15)   
   PubChem (1)   
   ChEBI (1)   
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   HMDB (1)   
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Chemical reaction (16)   
   KEGG ENZYME (8)   
   KEGG REACTION (8)   
Gene (13189)   
   KEGG GENES (13189)   
All databases (13225)   

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