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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	2-Deoxy-2,3-didehydro-N-glycoloylneuraminic acid

ChEBI ID	CHEBI:180609

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

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Formula

C11H17NO9

Net Charge

Average Mass

307.255

Monoisotopic Mass

307.09033

InChI

InChI=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

InChIKey

FDONZIZJWIPGCO-NCJYIMSCSA-N

SMILES

O1[C@]([C@H](NC(=O)CO)[C@@H](O)C=C1C(O)=O)([C@H](O)[C@H](O)CO)[H]

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in pancreas (BTO:0000988). of strain PANC-1 cell [BCGO:0000122] See: MetaboLights Study

ChEBI Ontology
Outgoing	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

Registry Number	Type	Source
39937-91-2	CAS Registry Number	ChemIDplus