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CDP-ethanolamine

PropertiesImage
MNX_IDMNXM1103456 Image of MNXM1103456
referencechebi:57876
formulaC11H19N4O11P2
global charge-1
mol weight445.238
InChIKeyWVIMUEUQJFPNDK-PEBGCTIMSA-M
InChIInChI=1S/C11H20N4O11P2/c12-2-4-23-27(19,20)26-28(21,22)24-5-6-8(16)9(17)10(25-6)15-3-1-7(13)14-11(15)18/h1,3,6,8-10,16-17H,2,4-5,12H2,(H,19,20)(H,21,22)(H2,13,14,18)/p-1/t6-,8-,9-,10-/m1/s1
SMILESNc1ccn([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OCC[NH3+])[C@@H](O)[C@H]2O)c(=O)n1
MNX internals
InChI (mnx)InChI=1/C11H20N4O11P2/c12-2-4-23-27(19,20)26-28(21,22)24-5-6-8(16)9(17)10(25-6)15-3-1-7(13)14-11(15)18/h1,3,6,8-10,16-17H,2,4-5,12H2,(H,19,20)(H,21,22)(H2,13,14,18)/t6-,8-,9-,10-/m1/s1 Image of MNXM1103456
SMILES (mnx)[CH:1]1([CH3:9])[CH:2]([CH:6]2[C:7](=[CH2:11])[CH:10]=[N:14]([NH2:15])[N:12]=[CH:8]2)[CH2:3][CH:4]([O:16][O:17][O:23]([O:18][O:21](=[O:20])([OH:22])[O:25][O:26][PH:27][PH2:28])(=[O:19])[OH:24])[C@@H:5]1[NH2:13]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)170
in models (compartimentalized) 30
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-1500603
reactomeM:R-ALL-1500603
CHEBI:57876
chebi:57876
WVIMUEUQJFPNDK-PEBGCTIMSA-M 		CDP-ethanolamine
5'-O-({[(2-ammonioethoxy)phosphinato]oxy}phosphinato)cytidine
CDP-ethanolamine cation
CDP-ethanolamine(1-)

vmhM:cdpea
vmhM:cdpea
vmhmetabolite:cdpea
vmhmetabolite:cdpea
WVIMUEUQJFPNDK-PEBGCTIMSA-M 		CDP-ethanolamine(1-)
(2-aminoethoxy)[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphinic acid
hmdb:HMDB0001564
WVIMUEUQJFPNDK-PEBGCTIMSA-N 		CDP-ethanolamine
(2-aminoethoxy)[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphinic acid
2-aminoethoxy({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-hydroxy-4-iminopyrimidin-1-yl)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy)phosphinic acid
CDP Ethanolamine
CDP Ethanolamine, p'-(32)P-labeled
CDPethanolamine
Cytidine 5'-(trihydrogen diphosphate), p'-(2-aminoethyl) ester
Cytidine 5'-(trihydrogen diphosphoric acid), p'-(2-aminoethyl) ester
Cytidine 5'-diphosphate ethanolamine
Cytidine 5'-diphosphoethanolamine
Cytidine diphosphate ethanolamine
Cytidine diphosphoethanolamine
Cytidine diphosphoric acid ethanolamine

CHEBI:16732
chebi:16732
WVIMUEUQJFPNDK-PEBGCTIMSA-N 		CDP-ethanolamine
5'-O-[{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine
CDP ethanolamine
Cytidine diphosphate ethanolamine
cytidine 5'-(trihydrogen diphosphate), P'-(2-aminoethyl) ester
cytidine 5'-[3-(2-aminoethyl) dihydrogen diphosphate]
cytidine diphosphate ethanolamine

kegg.compound:C00570
keggC:C00570
WVIMUEUQJFPNDK-PEBGCTIMSA-N 		CDP-ethanolamine
Cytidine diphosphate ethanolamine

metacyc.compound:CDP-ETHANOLAMINE
metacycM:CDP-ETHANOLAMINE
WVIMUEUQJFPNDK-PEBGCTIMSA-M 		CDP-ethanolamine
cytidine diphosphate ethanolamine

bigg.metabolite:cdpea
biggM:cdpea
sabiork.compound:2100
sabiorkM:2100
WVIMUEUQJFPNDK-PEBGCTIMSA-M
WVIMUEUQJFPNDK-PEBGCTIMSA-N 		CDPethanolamine

seed.compound:cpd00444
seedM:cpd00444
WVIMUEUQJFPNDK-PEBGCTIMSA-M 		CDPethanolamine
CDP-ethanolamine
Cytidine diphosphate ethanolamine
cdpea
cytidine diphosphate ethanolamine

hmdb:HMDB01564
chebi:13257
chebi:13270
chebi:20869
chebi:3270
biggM:M_cdpea
keggC:M_C00570
seedM:M_cpd00444
vmhM:M_cdpea 		secondary/obsolete/fantasy identifier