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CHEBI:15868 - CDP-N-methylethanolamine

ChEBI IDCHEBI:15868
ChEBI NameCDP-N-methylethanolamine
Stars
ASCII NameCDP-N-methylethanolamine
DefinitionA nucleotide-(amino alcohol) that is the N-methyl derivative of CDP-ethanolamine.
Secondary ChEBI IDsCHEBI:3265, CHEBI:13263, CHEBI:20864
Last Modified24 May 2012
DownloadsMolfile
FormulaC12H22N4O11P2
Net Charge0
Average Mass460.273
Monoisotopic Mass460.07603
SMILESCNCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O
InChIInChI=1S/C12H22N4O11P2/c1-14-3-5-24-28(20,21)27-29(22,23)25-6-7-9(17)10(18)11(26-7)16-4-2-8(13)15-12(16)19/h2,4,7,9-11,14,17-18H,3,5-6H2,1H3,(H,20,21)(H,22,23)(H2,13,15,19)/t7-,9-,10-,11-/m1/s1
InChIKeyRSPRLQAZJOAGFP-QCNRFFRDSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
CDP-N-methylethanolamine (CHEBI:15868) has functional parent CDP-ethanolamine (CHEBI:16732)
CDP-N-methylethanolamine (CHEBI:15868) is a nucleotide-(amino alcohol)s (CHEBI:25604)
CDP-N-methylethanolamine (CHEBI:15868) is a phosphoethanolamine (CHEBI:36711)
CDP-N-methylethanolamine (CHEBI:15868) is conjugate acid of CDP-N-methylethanolamine(1−) (CHEBI:57547)
Incoming Relation(s)
CDP-N-methylethanolamine(1−) (CHEBI:57547) is conjugate base of CDP-N-methylethanolamine (CHEBI:15868)
IUPAC Name 
cytidine 5'-{3-[2-(methylamino)ethyl] dihydrogen diphosphate}
Synonym  Source
CDP-N-methylethanolamineKEGG COMPOUND
Manual XrefsDatabases
C03486KEGG COMPOUND