KEGG   COMPOUND: C00114
Entry
C00114                      Compound                               
Name
Choline;
Bilineurine
Formula
C5H14NO
Exact mass
104.1075
Mol weight
104.17
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
map00670  One carbon pool by folate
map01100  Metabolic pathways
map02010  ABC transporters
map04725  Cholinergic synapse
map04976  Bile secretion
map04981  Folate transport and metabolism
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]
NIKKAJI: J4.822D
LinkDB
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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