CHEBI:58376 - CMP-N-glycoloyl-β-neuraminate(2−)

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ChEBI Name CMP-N-glycoloyl-β-neuraminate(2−)
ChEBI ID CHEBI:58376
ChEBI ASCII Name CMP-N-glycoloyl-beta-neuraminate(2-)
Definition A nucleotide-sugar oxoanion arising from deprotonation of the carboxy and phosphate functions of CMP-N-glycoloyl-β-neuraminic acid; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C20H29N4O17P
Net Charge -2
Average Mass 628.43460
Monoisotopic Mass 628.12763
InChI InChI=1S/C20H31N4O17P/c21-10-1-2-24(19(35)22-10)17-15(32)14(31)9(39-17)6-38-42(36,37)41-20(18(33)34)3-7(27)12(23-11(29)5-26)16(40-20)13(30)8(28)4-25/h1-2,7-9,12-17,25-28,30-32H,3-6H2,(H,23,29)(H,33,34)(H,36,37)(H2,21,22,35)/p-2/t7-,8+,9+,12+,13+,14+,15+,16+,17+,20+/m0/s1
InChIKey HOEWKBQADMRCLO-UIUGZIMDSA-L
SMILES [H][C@]1(O[C@](C[C@H](O)[C@H]1NC(=O)CO)(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-glycoloyl-β-neuraminate(2−) (CHEBI:58376) has role human metabolite (CHEBI:77746)
CMP-N-glycoloyl-β-neuraminate(2−) (CHEBI:58376) is a nucleotide-sugar oxoanion (CHEBI:59737)
CMP-N-glycoloyl-β-neuraminate(2−) (CHEBI:58376) is conjugate base of CMP-N-glycoloyl-β-neuraminic acid (CHEBI:18098)
Incoming CMP-N-glycoloyl-β-neuraminic acid (CHEBI:18098) is conjugate acid of CMP-N-glycoloyl-β-neuraminate(2−) (CHEBI:58376)
Synonyms Sources
CMP-N-glycoloyl-β-neuraminate UniProt
CMP-N-glycoloyl-β-neuraminate ChEBI
CMP-N-glycoloyl-β-neuraminate dianion ChEBI
Registry Number Type Source
8181656 Reaxys Registry Number Reaxys
Last Modified
22 April 2015