2-deoxy-2,3-dehydro-N-acetylneuraminate (CHEBI:229229)

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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-dehydro-N-acetylneuraminate

ChEBI ID	CHEBI:229229

ChEBI ASCII Name	2-deoxy-2,3-dehydro-N-acetylneuraminate

Definition	Major species at pH 7.3.

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

Submitter	Kristian Axelsen

Supplier Information

Download	Molfile XML SDF

Formula

C11H16NO8

Net Charge

-1

Average Mass

290.249

Monoisotopic Mass

290.08814

InChI

InChI=1S/C11H17NO8/c1-4(14)12-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-13/h2,5-6,8-10,13,15-17H,3H2,1H3,(H,12,14)(H,18,19)/p-1/t5-,6+,8+,9+,10+/m0/s1

InChIKey

JINJZWSZQKHCIP-UFGQHTETSA-M

SMILES

[C@@H]1([C@@](OC(C([O-])=O)=C[C@@H]1O)([C@@H]([C@@H](CO)O)O)[H])NC(C)=O

ChEBI Ontology
Outgoing	2-deoxy-2,3-dehydro-N-acetylneuraminate (CHEBI:229229) is a N-acetylneuraminates (CHEBI:21619) 2-deoxy-2,3-dehydro-N-acetylneuraminate (CHEBI:229229) is conjugate base of 2-deoxy-2,3-dehydro-N-acetylneuraminic acid (CHEBI:28062)

Incoming	2-deoxy-2,3-dehydro-N-acetylneuraminic acid (CHEBI:28062) is conjugate acid of 2-deoxy-2,3-dehydro-N-acetylneuraminate (CHEBI:229229)

Synonym	Source
2-deoxy-2,3-dehydro-N-acetylneuraminate	UniProt