EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

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

ChEBI IDCHEBI:87773
ChEBI Name(S)-4-hydroxy-2-oxoheptanedioic acid
Stars
ASCII Name(S)-4-hydroxy-2-oxoheptanedioic acid
DefinitionA 4-hydroxy-2-oxoheptanedioic acid that has S-configuration at position 4.
Last Modified3 September 2015
SubmitterSteve
DownloadsMolfile
FormulaC7H10O6
Net Charge0
Average Mass190.151
Monoisotopic Mass190.04774
SMILESO=C(O)CC[C@H](O)CC(=O)C(=O)O
InChIInChI=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
InChIKeyHNOAJOYERZTSNK-BYPYZUCNSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(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 Relation(s)
(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 NumbersSources
Reaxys:7988912Reaxys