CHEBI:15868 - CDP-N-methylethanolamine

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ChEBI Name CDP-N-methylethanolamine
ChEBI ID CHEBI:15868
ChEBI ASCII Name CDP-N-methylethanolamine
Definition A nucleotide-(amino alcohol) that is the N-methyl derivative of CDP-ethanolamine.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:13263, CHEBI:3265, CHEBI:20864
Supplier Information
Download Molfile XML SDF
Formula C12H22N4O11P2
Net Charge 0
Average Mass 460.27096
Monoisotopic Mass 460.07603
InChI InChI=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
InChIKey RSPRLQAZJOAGFP-QCNRFFRDSA-N
SMILES CNCCOP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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-methylethanolamine KEGG COMPOUND
Manual Xref Database
C03486 KEGG COMPOUND
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Last Modified
24 May 2012