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CDP-choline

PropertiesImage
MNX_IDMNXM1103046 Image of MNXM1103046
referencechebi:58779
formulaC14H25N4O11P2
global charge-1
mol weight487.319
InChIKeyRZZPDXZPRHQOCG-OJAKKHQRSA-M
InChIInChI=1S/C14H26N4O11P2/c1-18(2,3)6-7-26-30(22,23)29-31(24,25)27-8-9-11(19)12(20)13(28-9)17-5-4-10(15)16-14(17)21/h4-5,9,11-13,19-20H,6-8H2,1-3H3,(H3-,15,16,21,22,23,24,25)/p-1/t9-,11-,12-,13-/m1/s1
SMILESC[N+](C)(C)CCOP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C14H26N4O11P2/c1-18(2,3)6-7-26-30(22,23)29-31(24,25)27-8-9-11(19)12(20)13(28-9)17-5-4-10(15)16-14(17)21/h4-5,9,11-13,19-20H,6-8H2,1-3H3,(H3-,15,16,21,22,23,24,25)/t9-,11-,12-,13-/m1/s1 Image of MNXM1103046
SMILES (mnx)[CH3:1][N+:18]([CH3:2])([CH3:3])[CH2:6][CH2:7][O:26][P:30](=[O:22])([OH:23])[O:29][P:31](=[O:24])([O-:25])[O:27][CH2:8][C@@H:9]1[C@@H:11]([OH:19])[C@@H:12]([OH:20])[C@H:13]([N:17]2[CH:5]=[CH:4][C:10](=[NH:15])[N:16]=[C:14]2[OH:21])[O:28]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)142
in models (compartimentalized) 31
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:58779
chebi:58779
RZZPDXZPRHQOCG-OJAKKHQRSA-M 		CDP-choline
5'-O-[({[2-(trimethylazaniumyl)ethoxy]phosphinato}oxy)phosphinato]cytidine
CDP-choline(1-)

CHEBI:49086
chebi:49086
RZZPDXZPRHQOCG-OJAKKHQRSA-O 		CDP-choline(1+)
5'-O-[hydroxy({hydroxy[2-(trimethylammonio)ethoxy]phosphoryl}oxy)phosphoryl]cytidine
cytidine 5'-(trihydrogen diphosphate), mono(2-(trimethylammonio)ethyl) ester

reactome:R-ALL-1524060
reactomeM:R-ALL-1524060
CHEBI:16436
chebi:16436
RZZPDXZPRHQOCG-OJAKKHQRSA-N 		CDP-choline
5'-O-[hydroxy({[2-(trimethylammonio)ethoxy]phosphinato}oxy)phosphoryl]cytidine
CDP-colina
Citicoline
Cytidindiphosphocholin
Cytidine 5'-diphosphocholine
[2-CYTIDYLATE-O'-PHOSPHONYLOXYL]-ETHYL-TRIMETHYL-AMMONIUM
citicolina
citicolinum
citidin difosfato de colina
cyticholine
cytidine 5'-(choline diphosphate)
cytidine 5'-(cholinyl pyrophosphate)
cytidine 5'-diphosphoric choline

kegg.compound:C00307
keggC:C00307
RZZPDXZPRHQOCG-OJAKKHQRSA-N 		CDP-choline
Citicoline
Cytidine 5'-diphosphocholine

metacyc.compound:CDP-CHOLINE
metacycM:CDP-CHOLINE
RZZPDXZPRHQOCG-OJAKKHQRSA-M 		CDP-choline
cidifos
citicholine
citicoline
cyticholine
cytidine 5'-diphosphocholine
cytidine diphosphate choline

bigg.metabolite:cdpchol
biggM:cdpchol
RZZPDXZPRHQOCG-OJAKKHQRSA-M 		CDPcholine

seed.compound:cpd00256
seedM:cpd00256
RZZPDXZPRHQOCG-OJAKKHQRSA-M 		CDPcholine
CDP-choline
Citicoline
Cytidine 5'-diphosphocholine
cdpchol
cidifos
citicholine
citicoline
cyticholine
cytidine 5'-diphosphocholine
cytidine diphosphate choline

sabiork.compound:2012
sabiorkM:2012
RZZPDXZPRHQOCG-OJAKKHQRSA-N 		CDPcholine
Citicoline
Cydine 5'-diphosphocholine
Cytidine 5'-diphosphocholine

vmhM:cdpchol
vmhmetabolite:cdpchol
RZZPDXZPRHQOCG-OJAKKHQRSA-M 		CDPcholine
{[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({hydroxy[2-(trimethylazaniumyl)ethoxy]phosphoryl}oxy)phosphinic acid

kegg.drug:D00057
keggD:D00057
RZZPDXZPRHQOCG-OJAKKHQRSA-N 		Citicoline (JP18/INN)
Nicholin (TN)
hmdb:HMDB0001413
RZZPDXZPRHQOCG-OJAKKHQRSA-O 		Citicoline
5'-Diphosphocholine, cytidine
CDP Choline
CDP-choline
Choline 5'-cytidine diphosphate
Choline cytidine diphosphate
Choline, CDP
Choline, cytidine diphosphate
Cidifos
Citicholine
Cyticholine
Cytidine 5' diphosphocholine
Cytidine 5'-(choline diphosphate)
Cytidine 5'-(cholinyl pyrophosphate)
Cytidine 5'-(trihydrogen diphosphate), mono(2-(trimethylammonio)ethyl) ester
Cytidine 5'-(trihydrogen diphosphoric acid), mono(2-(trimethylammonio)ethyl) ester
Cytidine 5'-diphosphate choline
Cytidine 5'-diphosphocholine
Cytidine choline diphosphate
Cytidine diphosphate choline
Cytidine diphosphate choline ester
Cytidine diphosphocholine
Cytidine diphosphorylcholine
Diphosphate choline, cytidine
cdp-choline(1+)
{[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({hydroxy[2-(trimethylazaniumyl)ethoxy]phosphoryl}oxy)phosphinic acid

hmdb:HMDB01413
chebi:13268
chebi:20867
chebi:3268
chebi:41440
biggM:M_cdpchol
keggC:M_C00307
keggD:M_D00057
seedM:M_cpd00256
vmhM:M_cdpchol 		secondary/obsolete/fantasy identifier