3-Isopropylmalic acid

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Systematic / IUPAC Name: 2-Hydroxy-3-propan-2-ylbutanedioic acid

ID: Reference204

Other Names: 2-Hydroxy-3-isopropylsuccinic acid;
3-Carboxy-2-hydroxy-4-methylpentanoic acid;
2-Hydroxy-3-(propan-2-yl)butanedioic acid;
Butanedioic acid, 2-hydroxy-3-(1-methylethyl)-

Formula: C7H12O5

Class: Endogenous Metabolites

Spectral Data

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

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Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 142
Tandem Spectra MS1, MS2, MS3
Ionization Methods ESI
Analyzers FT
Last Modification 11/20/2014 8:09:44 AM
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Identificators

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)
InChI Key RNQHMTFBUSSBJQ-UHFFFAOYSA-N
Canonical SMILES CC(C)C(C(C(=O)O)O)C(=O)O
CAS 16048898
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Other Names 2-Hydroxy-3-isopropylsuccinic acid;
3-Carboxy-2-hydroxy-4-methylpentanoic acid;
2-Hydroxy-3-(propan-2-yl)butanedioic acid;
Butanedioic acid, 2-hydroxy-3-(1-methylethyl)-

In Other Databases

Wikipedia Isopropylmalic acid
PubChem 36
ChemSpider 35; 21231992; 21232128
ChEBI CHEBI:35114