CHEBI:87522 - (S)-4-hydroxy-2-oxoheptanedioate

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ChEBI Name (S)-4-hydroxy-2-oxoheptanedioate ChEBI ID CHEBI:87522 ChEBI ASCII Name (S)-4-hydroxy-2-oxoheptanedioate Definition A 4-hydroxy-2-oxoheptanedioate obtained by deprotonation of both carboxy groups of (S)-4-hydroxy-2-oxoheptanedioic acid; major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter Kristian Axelsen Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C7H8O6 Net Charge -2 Average Mass 188.135 Monoisotopic Mass 188.03319 InChI InChI=1S/C7H10O6/c8-4(1-2-6(10)11)3-5(9)7(12)13/h4,8H,1-3H2,(H,10,11)(H,12,13)/p-2/t4-/m0/s1 InChIKey HNOAJOYERZTSNK-BYPYZUCNSA-L SMILES C(C[C@@H](CC(C([O-])=O)=O)O)C([O-])=O ChEBI Ontology Outgoing (S)-4-hydroxy-2-oxoheptanedioate (CHEBI:87522) is a 4-hydroxy-2-oxoheptanedioate (CHEBI:73036) (S)-4-hydroxy-2-oxoheptanedioate (CHEBI:87522) is conjugate base of (S)-4-hydroxy-2-oxoheptanedioic acid (CHEBI:87773) Incoming (S)-4-hydroxy-2-oxoheptanedioic acid (CHEBI:87773) is conjugate acid of (S)-4-hydroxy-2-oxoheptanedioate (CHEBI:87522) IUPAC Name (4S)-4-hydroxy-2-oxoheptanedioate Synonym Source (4S)-4-hydroxy-2-oxoheptanedioate UniProt Last Modified 03 September 2015

General Comment 2015-09-03 See: Burks, E.A., Johnson, W.H. Jr. and Whitman, C.P. J. Am. Chem. Soc. 1998, 120, 7665-7675. DOI: 10.1021/ja9808402.