CHEBI:57812 - CMP-N-acetyl-β-neuraminate(2−)

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ChEBI Name CMP-N-acetyl-β-neuraminate(2−)
ChEBI ID CHEBI:57812
ChEBI ASCII Name CMP-N-acetyl-beta-neuraminate(2-)
Definition Dianion of CMP-N-acetyl-β-neuraminate arising from deprotonation of carboxylic acid and phosphate functions; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C20H29N4O16P
Net Charge -2
Average Mass 612.43520
Monoisotopic Mass 612.13272
InChI InChI=1S/C20H31N4O16P/c1-7(26)22-12-8(27)4-20(18(32)33,39-16(12)13(29)9(28)5-25)40-41(35,36)37-6-10-14(30)15(31)17(38-10)24-3-2-11(21)23-19(24)34/h2-3,8-10,12-17,25,27-31H,4-6H2,1H3,(H,22,26)(H,32,33)(H,35,36)(H2,21,23,34)/p-2/t8-,9+,10+,12+,13+,14+,15+,16+,17+,20+/m0/s1
InChIKey TXCIAUNLDRJGJZ-BILDWYJOSA-L
SMILES [H][C@]1(O[C@](C[C@H](O)[C@H]1NC(C)=O)(OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O)C([O-])=O)[C@H](O)[C@H](O)CO
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing CMP-N-acetyl-β-neuraminate(2−) (CHEBI:57812) has role human metabolite (CHEBI:77746)
CMP-N-acetyl-β-neuraminate(2−) (CHEBI:57812) is a nucleotide-sugar oxoanion (CHEBI:59737)
CMP-N-acetyl-β-neuraminate(2−) (CHEBI:57812) is conjugate base of CMP-N-acetyl-β-neuraminic acid (CHEBI:16556)
Incoming CMP-N-acetyl-β-neuraminic acid (CHEBI:16556) is conjugate acid of CMP-N-acetyl-β-neuraminate(2−) (CHEBI:57812)
IUPAC Name
cytidine 5'-(5-acetamido-3,5-dideoxy-D-glycero-β-D-galacto-non-2-ulopyranosylonate monophosphate)
Synonyms Sources
CMP-N-acetyl-β-neuraminate UniProt
CMP-N-acetyl-β-neuraminate dianion ChEBI
Registry Number Type Source
5899715 Beilstein Registry Number Beilstein
Last Modified
10 March 2014