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

ChEBI IDCHEBI:1467
ChEBI Name(2S)-2-isopropyl-3-oxosuccinic acid
Stars
ASCII Name(2S)-2-isopropyl-3-oxosuccinic acid
DefinitionAn oxo dicarboxylic acid that is 2-ketosuccinic acid (oxalacetic acid) in which the 3-pro-S hydrogen is substituted by an isopropyl group.
Last Modified24 February 2022
DownloadsMolfile
FormulaC7H10O5
Net Charge0
Average Mass174.152
Monoisotopic Mass174.05282
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)/t4-/m0/s1
InChIKeyHIIZAGQWABAMRR-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)
(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 dicarboxylic fatty acid (CHEBI:189840)
(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 Relation(s)
(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  Source
(2S)-2-Isopropyl-3-oxosuccinateKEGG COMPOUND
(2S)-2-(1-methylethyl)-3-oxobutanedioic acidIUPAC
3-Carboxy-4-methyl-2-oxopentanoateKEGG COMPOUND
Manual XrefsDatabases
C04236KEGG COMPOUND
Registry NumbersSources
Reaxys:1723841Reaxys