CHEBI:57547 - CDP-N-methylethanolamine(1−)

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ChEBI Name CDP-N-methylethanolamine(1−)
ChEBI ID CHEBI:57547
ChEBI ASCII Name CDP-N-methylethanolamine(1-)
Definition Conjugate base of CDP-N-methylethanolamine having a dianionic diphosphate group and a protonated secondary amino group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C12H21N4O11P2
Net Charge -1
Average Mass 459.26290
Monoisotopic Mass 459.06876
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)/p-1/t7-,9-,10-,11-/m1/s1
InChIKey RSPRLQAZJOAGFP-QCNRFFRDSA-M
SMILES C[NH2+]CCOP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O
ChEBI Ontology
Outgoing CDP-N-methylethanolamine(1−) (CHEBI:57547) is a organophosphate oxoanion (CHEBI:58945)
CDP-N-methylethanolamine(1−) (CHEBI:57547) is conjugate base of CDP-N-methylethanolamine (CHEBI:15868)
Incoming CDP-N-methylethanolamine (CHEBI:15868) is conjugate acid of CDP-N-methylethanolamine(1−) (CHEBI:57547)
IUPAC Name
cytidine 5'-{3-[2-(methylazaniumyl)ethyl] diphosphate}
Synonyms Sources
CDP-N-methylethanolamine UniProt
CDP-N-methylethanolamine anion ChEBI
Last Modified
13 November 2017