CHEBI:35114 - 3-isopropylmalic acid

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 3-isopropylmalic acid ChEBI ID CHEBI:35114 Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C7H12O5 Net Charge 0 Average Mass 176.16718 Monoisotopic Mass 176.06847 InChI InChI=1S/C7H12O5/c1-3(2)4(6(9)10)5(8)7(11)12/h3-5,8H,1-2H3,(H,9,10)(H,11,12) InChIKey RNQHMTFBUSSBJQ-UHFFFAOYSA-N SMILES CC(C)C(C(O)C(O)=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 3-isopropylmalic acid (CHEBI:35114) has functional parent succinic acid (CHEBI:15741) 3-isopropylmalic acid (CHEBI:35114) is a 2-hydroxydicarboxylic acid (CHEBI:50263) 3-isopropylmalic acid (CHEBI:35114) is a dicarboxylic fatty acid (CHEBI:189840) 3-isopropylmalic acid (CHEBI:35114) is conjugate acid of 3-isopropylmalate(2−) (CHEBI:15592) Incoming (2R,3S)-3-isopropylmalic acid (CHEBI:43468) is a 3-isopropylmalic acid (CHEBI:35114) 3-isopropylmalate(2−) (CHEBI:15592) is conjugate base of 3-isopropylmalic acid (CHEBI:35114) IUPAC Name 2-hydroxy-3-(propan-2-yl)butanedioic acid Synonyms Sources 2-hydroxy-3-isopropylsuccinic acid ChEBI 3-carboxy-2-hydroxy-4-methylpentanoic acid ChEBI Manual Xref Database DB04279 DrugBank View more database links Registry Number Type Source 16048-89-8 CAS Registry Number ChEBI Citations Types Sources 14269331 PubMed citation Europe PMC 31126479 PubMed citation Europe PMC 32259735 PubMed citation Europe PMC 32677749 PubMed citation Europe PMC Last Modified 24 February 2022