CHEBI:87773 - (S)-4-hydroxy-2-oxoheptanedioic acid

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ChEBI Name (S)-4-hydroxy-2-oxoheptanedioic acid
ChEBI ID CHEBI:87773
ChEBI ASCII Name (S)-4-hydroxy-2-oxoheptanedioic acid
Definition A 4-hydroxy-2-oxoheptanedioic acid that has S-configuration at position 4.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C7H10O6
Net Charge 0
Average Mass 190.151
Monoisotopic Mass 190.04774
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)/t4-/m0/s1
InChIKey HNOAJOYERZTSNK-BYPYZUCNSA-N
SMILES C(C[C@@H](CC(C(O)=O)=O)O)C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (S)-4-hydroxy-2-oxoheptanedioic acid (CHEBI:87773) is a 4-hydroxy-2-oxoheptanedioic acid (CHEBI:73089)
(S)-4-hydroxy-2-oxoheptanedioic acid (CHEBI:87773) is conjugate acid of (S)-4-hydroxy-2-oxoheptanedioate (CHEBI:87522)
Incoming (S)-4-hydroxy-2-oxoheptanedioate (CHEBI:87522) is conjugate base of (S)-4-hydroxy-2-oxoheptanedioic acid (CHEBI:87773)
IUPAC Name
(4S)-4-hydroxy-2-oxoheptanedioic acid
Registry Number Type Source
7988912 Reaxys Registry Number Reaxys
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.