(3S,4S,5R,6R)-3,4,5,6,7-pentahydroxy-2-oxoheptanoate (CHEBI:231439)

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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	(3S,4S,5R,6R)-3,4,5,6,7-pentahydroxy-2-oxoheptanoate

ChEBI ID	CHEBI:231439

ChEBI ASCII Name	(3S,4S,5R,6R)-3,4,5,6,7-pentahydroxy-2-oxoheptanoate

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

Submitter	Elisabeth COUDERT

Supplier Information

Download	Molfile XML SDF

Formula

C7H11O8

Net Charge

-1

Average Mass

223.158

Monoisotopic Mass

223.04594

InChI

InChI=1S/C7H12O8/c8-1-2(9)3(10)4(11)5(12)6(13)7(14)15/h2-5,8-12H,1H2,(H,14,15)/p-1/t2-,3-,4+,5+/m1/s1

InChIKey

NGECPFWYOSEXMF-MBMOQRBOSA-M

SMILES

[C@@H](O)([C@H](O)C(C(=O)[O-])=O)[C@@H]([C@@H](CO)O)O

ChEBI Ontology
Outgoing	(3S,4S,5R,6R)-3,4,5,6,7-pentahydroxy-2-oxoheptanoate (CHEBI:231439) is a 2-oxo monocarboxylic acid anion (CHEBI:35179)

Synonym	Source
(3S,4S,5R,6R)-3,4,5,6,7-pentahydroxy-2-oxoheptanoate	UniProt