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 ZINC000001529894 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C7H10O5 Net Charge 0 Average Mass 174.15130 Monoisotopic Mass 174.05282 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 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 (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 3-Carboxy-4-methyl-2-oxopentanoate KEGG COMPOUND Manual Xref Database C04236 KEGG COMPOUND View more database links Registry Number Type Source 1723841 Reaxys Registry Number Reaxys Last Modified 24 February 2022