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

ChEBI IDCHEBI:58376
ChEBI NameCMP-N-glycoloyl-β-neuraminate(2−)
Stars
ASCII NameCMP-N-glycoloyl-beta-neuraminate(2-)
DefinitionA 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.
Last Modified22 April 2015
DownloadsMolfile
FormulaC20H29N4O17P
Net Charge-2
Average Mass628.437
Monoisotopic Mass628.12763
SMILES[H][C@@]1([C@H](O)[C@H](O)CO)O[C@](OP(=O)([O-])OC[C@H]2O[C@@H](n3ccc(N)nc3=O)[C@H](O)[C@@H]2O)(C(=O)[O-])C[C@H](O)[C@H]1NC(=O)CO
InChIInChI=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
InChIKeyHOEWKBQADMRCLO-UIUGZIMDSA-L
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
CMP-N-glycoloyl-β-neuraminic acid (CHEBI:18098) is conjugate acid of CMP-N-glycoloyl-β-neuraminate(2−) (CHEBI:58376)
Synonyms  Source
CMP-N-glycoloyl-β-neuraminateChEBI
CMP-N-glycoloyl-β-neuraminate dianionChEBI
UniProt Name  Source
CMP-N-glycoloyl-β-neuraminateUniProt
Registry NumbersSources
Reaxys:8181656Reaxys