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CHEBI:180609 - 2-Deoxy-2,3-didehydro-N-glycoloylneuraminic acid

ChEBI IDCHEBI:180609
ChEBI Name2-Deoxy-2,3-didehydro-N-glycoloylneuraminic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H17NO9
Net Charge0
Average Mass307.255
Monoisotopic Mass307.09033
SMILES[H][C@@]1([C@H](O)[C@H](O)CO)OC(C(=O)O)=C[C@H](O)[C@H]1NC(=O)CO
InChIInChI=1S/C11H17NO9/c13-2-5(16)9(18)10-8(12-7(17)3-14)4(15)1-6(21-10)11(19)20/h1,4-5,8-10,13-16,18H,2-3H2,(H,12,17)(H,19,20)/t4-,5+,8+,9+,10+/m0/s1
InChIKeyFDONZIZJWIPGCO-NCJYIMSCSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) pancreas (BTO:0000988) MetaboLights (MTBLS1925) Strain: PANC-1 cell [BCGO:0000122]
ChEBI Ontology
Outgoing Relation(s)
2-Deoxy-2,3-didehydro-N-glycoloylneuraminic acid (CHEBI:180609) is a carboxamide (CHEBI:37622)
IUPAC Name 
(2R,3R,4S)-4-hydroxy-3-[(2-hydroxyacetyl)amino]-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid
Manual XrefsDatabases
2339934ChemSpider
Registry NumbersSources
CAS:39937-91-2ChemIDplus