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

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ChEBI Name (2S)-2-isopropyl-3-oxosuccinate(2−)
ChEBI ID CHEBI:17214
ChEBI ASCII Name (2S)-2-isopropyl-3-oxosuccinate(2-)
Definition A dicarboxylic acid dianion obtained by removal of a proton from both carboxy groups of (2S)-2-isopropyl-3-oxosuccinic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:19975, CHEBI:11765
Supplier Information ChemicalBook:CB8327518, eMolecules:501674, ZINC000000900692
Download Molfile XML SDF
Formula C7H8O5
Net Charge -2
Average Mass 172.13542
Monoisotopic Mass 172.03827
InChI InChI=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
InChIKey HIIZAGQWABAMRR-BYPYZUCNSA-L
SMILES CC(C)[C@H](C([O-])=O)C(=O)C([O-])=O
Metabolite of Species Details
Saccharomyces cerevisiae (NCBI:txid4932) Source: yeast.sf.net See: PubMed
Roles Classification
Biological Role(s): Saccharomyces cerevisiae metabolite
Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (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 (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
Synonym Source
(2S)-2-isopropyl-3-oxosuccinate UniProt
Manual Xref Database
CPD-7100 MetaCyc
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Last Modified
16 September 2021