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

ChEBI IDCHEBI:57547
ChEBI NameCDP-N-methylethanolamine(1−)
Stars
ASCII NameCDP-N-methylethanolamine(1-)
DefinitionConjugate base of CDP-N-methylethanolamine having a dianionic diphosphate group and a protonated secondary amino group.
Last Modified13 November 2017
DownloadsMolfile
FormulaC12H21N4O11P2
Net Charge-1
Average Mass459.265
Monoisotopic Mass459.06875
SMILESC[NH2+]CCOP(=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)/p-1/t7-,9-,10-,11-/m1/s1
InChIKeyRSPRLQAZJOAGFP-QCNRFFRDSA-M
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
CDP-N-methylethanolamine (CHEBI:15868) is conjugate acid of CDP-N-methylethanolamine(1−) (CHEBI:57547)
IUPAC Name 
cytidine 5'-{3-[2-(methylazaniumyl)ethyl] diphosphate}
Synonym  Source
CDP-N-methylethanolamine anionChEBI
UniProt Name  Source
CDP-N-methylethanolamineUniProt