KEGG   COMPOUND: C00114Help
Entry
C00114                      Compound                               

Name
Choline;
Bilineurine
Formula
C5H14NO
Exact mass
104.1075
Mol weight
104.1708
Structure
Mol fileKCF fileDB search
Remark
Same as: D07690
Reaction
Pathway
map00260  Glycine, serine and threonine metabolism
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
BRITE hierarchy
Other DBs
CAS: 62-49-7
PubChem: 3414
ChEBI: 15354
ChEMBL: CHEMBL920
KNApSAcK: C00007298
PDB-CCD: CHT[PDBj]
3DMET: B00031
NIKKAJI: J4.822D
KCF data Show

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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