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CHEBI:176558 - N-glycoloyl-α-neuraminate

ChEBI IDCHEBI:176558
ChEBI NameN-glycoloyl-α-neuraminate
Stars
ASCII NameN-glycoloyl-alpha-neuraminate
DefinitionAn N-glycoloylneuraminate that is conjugate base of N-glycoloyl-α-neuraminic acid arising from the deprotonation of the carboxy group. Major microspecies at pH 7.3.
Last Modified22 June 2021
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC11H18NO10
Net Charge-1
Average Mass324.262
Monoisotopic Mass324.09362
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)/p-1/t4-,5+,7+,8+,9+,11+/m0/s1
InChIKeyFDJKUWYYUZCUJX-VTERZIIISA-M
Roles Classification
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
N-glycoloyl-α-neuraminate (CHEBI:176558) is a N-glycoloylneuraminate (CHEBI:29025)
N-glycoloyl-α-neuraminate (CHEBI:176558) is conjugate base of N-glycoloyl-α-neuraminic acid (CHEBI:62269)
Incoming Relation(s)
N-glycoloyl-α-neuraminic acid (CHEBI:62269) is conjugate acid of N-glycoloyl-α-neuraminate (CHEBI:176558)
IUPAC Name 
3,5-dideoxy-5-(2-hydroxyacetamido)-D-glycero-α-D-galacto-non-2-ulopyranosonate
Synonym  Source
Neu5Gcα(1−)ChEBI
UniProt Name  Source
N-glycoloyl-α-neuraminateUniProt