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CDP-N,N-dimethylethanolamine

PropertiesImage
MNX_IDMNXM10899 Image of MNXM10899
referencechebi:65117
formulaC13H23N4O11P2
global charge-1
mol weight473.292
InChIKeyFOYCPAILIPEVBT-HJQYOEGKSA-M
InChIInChI=1S/C13H24N4O11P2/c1-16(2)5-6-25-29(21,22)28-30(23,24)26-7-8-10(18)11(19)12(27-8)17-4-3-9(14)15-13(17)20/h3-4,8,10-12,18-19H,5-7H2,1-2H3,(H,21,22)(H,23,24)(H2,14,15,20)/p-1/t8-,10-,11-,12-/m1/s1
SMILESC[NH+](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/C13H24N4O11P2/c1-16(2)5-6-25-29(21,22)28-30(23,24)26-7-8-10(18)11(19)12(27-8)17-4-3-9(14)15-13(17)20/h3-4,8,10-12,18-19H,5-7H2,1-2H3,(H,21,22)(H,23,24)(H2,14,15,20)/t8-,10-,11-,12-/m1/s1 Image of MNXM10899
SMILES (mnx)[CH3:1][N:16]([CH3:2])[CH2:5][CH2:6][O:25][P:29]([OH:21])(=[O:22])[O:28][P:30]([OH:23])(=[O:24])[O:26][CH2:7][C@@H:8]1[C@@H:10]([OH:18])[C@@H:11]([OH:19])[C@H:12]([N:17]2[CH:4]=[CH:3][C:9](=[NH:14])[N:15]=[C:13]2[OH:20])[O:27]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:65117
chebi:65117
FOYCPAILIPEVBT-HJQYOEGKSA-M 		CDP-N,N-dimethylethanolamine
5'-O-[({[2-(dimethylammonio)ethoxy]phosphinato}oxy)phosphinato]cytidine
CDP-N,N-dimethylethanolamine(1-)
CDP-PDME

CHEBI:64676
chebi:64676
FOYCPAILIPEVBT-HJQYOEGKSA-N 		CDP-N,N-dimethylethanolamine
5'-O-[({[2-(dimethylamino)ethoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]cytidine
CDP-N-dimethylethanolamine

metacyc.compound:CPD4FS-1
metacycM:CPD4FS-1
seed.compound:cpd26599
seedM:cpd26599
FOYCPAILIPEVBT-HJQYOEGKSA-M 		CDP-N-dimethylethanolamine

seedM:M_cpd26599 		secondary/obsolete/fantasy identifier