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CHEBI:17214 - (2S)-2-isopropyl-3-oxosuccinate(2−)

ChEBI IDCHEBI:17214
ChEBI Name(2S)-2-isopropyl-3-oxosuccinate(2−)
Stars
ASCII Name(2S)-2-isopropyl-3-oxosuccinate(2-)
DefinitionA dicarboxylic acid dianion obtained by removal of a proton from both carboxy groups of (2S)-2-isopropyl-3-oxosuccinic acid.
Secondary ChEBI IDsCHEBI:11765, CHEBI:19975
Last Modified16 September 2021
DownloadsMolfile
FormulaC7H8O5
Net Charge-2
Average Mass172.136
Monoisotopic Mass172.03827
SMILESCC(C)[C@H](C(=O)[O-])C(=O)C(=O)[O-]
InChIInChI=1S/C7H10O5/c1-3(2)4(6(9)10)5(8)7(11)12/h3-4H,1-2H3,(H,9,10)(H,11,12)/p-2/t4-/m0/s1
InChIKeyHIIZAGQWABAMRR-BYPYZUCNSA-L
Species of MetaboliteComponentSourceComments
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Roles Classification
Biological Role:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
(2S)-2-isopropyl-3-oxosuccinate(2−) (CHEBI:17214) has functional parent succinate(2−) (CHEBI:30031)
(2S)-2-isopropyl-3-oxosuccinate(2−) (CHEBI:17214) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
(2S)-2-isopropyl-3-oxosuccinate(2−) (CHEBI:17214) is a dicarboxylic acid dianion (CHEBI:28965)
(2S)-2-isopropyl-3-oxosuccinate(2−) (CHEBI:17214) is conjugate base of (2S)-2-isopropyl-3-oxosuccinic acid (CHEBI:1467)
Incoming Relation(s)
(2S)-2-isopropyl-3-oxosuccinic acid (CHEBI:1467) is conjugate acid of (2S)-2-isopropyl-3-oxosuccinate(2−) (CHEBI:17214)
IUPAC Name 
(2S)-3-oxo-2-(propan-2-yl)butanedioate
UniProt Name  Source
(2S)-2-isopropyl-3-oxosuccinateUniProt
Manual XrefsDatabases
CPD-7100MetaCyc