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CHEBI:62084 - N-glycoloyl-β-neuraminic acid

ChEBI IDCHEBI:62084
ChEBI NameN-glycoloyl-β-neuraminic acid
Stars
ASCII NameN-glycoloyl-beta-neuraminic acid
DefinitionAn N-acylneuraminic acid in which the acyl substituent on nitrogen is glycolyl and which has β-configuration at the anomeric centre.
Last Modified18 February 2020
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC11H19NO10
Net Charge0
Average Mass325.270
Monoisotopic Mass325.10090
SMILES[H][C@@]1([C@H](O)[C@H](O)CO)O[C@](O)(C(=O)O)C[C@H](O)[C@H]1NC(=O)CO
InChIInChI=1S/C11H19NO10/c13-2-5(16)8(18)9-7(12-6(17)3-14)4(15)1-11(21,22-9)10(19)20/h4-5,7-9,13-16,18,21H,1-3H2,(H,12,17)(H,19,20)/t4-,5+,7+,8+,9+,11-/m0/s1
InChIKeyFDJKUWYYUZCUJX-AJKRCSPLSA-N
Wikipedia
Roles Classification
Biological Roles:
mammalian metabolite  Any animal metabolite produced during a metabolic reaction in mammals.
antigen  Any substance that stimulates an immune response in the body, such as through antibody production or by presentation to a T-cell receptor after binding to a major histocompability complex (MHC).
ChEBI Ontology
Outgoing Relation(s)
N-glycoloyl-β-neuraminic acid (CHEBI:62084) has role antigen (CHEBI:59132)
N-glycoloyl-β-neuraminic acid (CHEBI:62084) has role mammalian metabolite (CHEBI:75768)
N-glycoloyl-β-neuraminic acid (CHEBI:62084) is a N-glycoloylneuraminic acid (CHEBI:146193)
IUPAC Name 
3,5-dideoxy-5-(glycoloylamino)-D-glycero-β-D-galacto-non-2-ulopyranosonic acid
Synonyms  Source
NGNAChemIDplus
Neu5GcChEBI
N-Glycolylneuraminic acidChemIDplus
GcNeuChemIDplus
NeuGcChEBI
N-glycolyl-β-neuraminic acidChEBI
Manual XrefsDatabases
HMDB0000833HMDB
N-Glycolylneuraminic_acidWikipedia
Registry NumbersSources
Reaxys:8136953Reaxys
CAS:1113-83-3ChemIDplus
Citations