CHEBI:1467 - (2S)-2-isopropyl-3-oxosuccinic acid

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ChEBI Name (2S)-2-isopropyl-3-oxosuccinic acid
ChEBI ID CHEBI:1467
ChEBI ASCII Name (2S)-2-isopropyl-3-oxosuccinic acid
Definition An oxo dicarboxylic acid that is 2-ketosuccinic acid (oxalacetic acid) in which the 3-pro-S hydrogen is substituted by an isopropyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C7H10O5
Net Charge 0
Average Mass 174.15130
Monoisotopic Mass 174.053
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)/t4-/m0/s1
InChIKey HIIZAGQWABAMRR-BYPYZUCNSA-N
SMILES CC(C)[C@H](C(O)=O)C(=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 (2S)-2-isopropyl-3-oxosuccinic acid (CHEBI:1467) has functional parent succinic acid (CHEBI:15741)
(2S)-2-isopropyl-3-oxosuccinic acid (CHEBI:1467) is a oxo dicarboxylic acid (CHEBI:36145)
(2S)-2-isopropyl-3-oxosuccinic acid (CHEBI:1467) is conjugate acid of (2S)-2-isopropyl-3-oxosuccinate(2−) (CHEBI:17214)
Incoming (2S)-2-isopropyl-3-oxosuccinate(2−) (CHEBI:17214) is conjugate base of (2S)-2-isopropyl-3-oxosuccinic acid (CHEBI:1467)
IUPAC Name
(2S)-3-oxo-2-(propan-2-yl)butanedioic acid
Synonyms Sources
(2S)-2-(1-methylethyl)-3-oxobutanedioic acid IUPAC
(2S)-2-Isopropyl-3-oxosuccinate KEGG COMPOUND
(2S)-2-isopropyl-3-oxosuccinic acid UniProt
3-Carboxy-4-methyl-2-oxopentanoate KEGG COMPOUND
Database Link Database
C04236 KEGG COMPOUND
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Registry Number Type Source
1723841 Reaxys Registry Number Reaxys
Last Modified
28 July 2014