2-Isopropylmalic acid

enlarge

Systematic / IUPAC Name: 2-Hydroxy-2-propan-2-ylbutanedioic acid

ID: Reference154

Other Names: 2-Hydroxy-2-isopropylsuccinic acid;
α-Isopropylmalic acid;
Isopropylmalic acid;
2-Hydroxy-2-(1-methylethyl)butanedioic acid;
3-Carboxy-3-hydroxyisocaproic acid ; more

Formula: C7H12O5

Class: Endogenous Metabolites

Spectral Data

2-Isopropylmalic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 215
Tandem Spectra MS1, MS2, MS3
Ionization Methods ESI
Analyzers FT
Last Modification 11/10/2014 11:49:23 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C7H12O5/c1-4(2)7(12,6(10)11)3-5(8)9/h4,12H,3H2,1-2H3,(H,8,9)(H,10,11)
InChI Key BITYXLXUCSKTJS-UHFFFAOYSA-N
Canonical SMILES CC(C)C(CC(=O)O)(C(=O)O)O
CAS 3237443
Splash
Other Names 2-Hydroxy-2-isopropylsuccinic acid;
α-Isopropylmalic acid;
Isopropylmalic acid;
2-Hydroxy-2-(1-methylethyl)butanedioic acid;
3-Carboxy-3-hydroxyisocaproic acid;
Butanedioic acid, 2-hydroxy-2-(1-methylethyl);
3-Carboxy-3-hydroxy-4-methylpentanoate;
3-Hydroxy-4-methyl-3-carboxypentanoate;
Malic acid, 2-isopropyl-;
3-Carboxy-3-hydroxy-4-methylpentanoic acid

In Other Databases

HMDb HMDB00402
PubChem 77
ChemIDPlus 003237443; 049601061
ChemSpider 76
KEGG C02504
Wikipedia Isopropylmalic acid
ChEBI CHEBI:28635