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 No supplier information found for this compound.
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