(3S)-3-Methylhexanedioic acid

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Systematic / IUPAC Name: (3S)-3-Methylhexanedioic acid

ID: Reference13971

Other Names: AA-4166

Formula: C7H12O4

Class: Endogenous Metabolites

Spectral Data

(3S)-3-Methylhexanedioic 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 ID-X with ETD_Cal Gateshead
No. of Spectral Trees 1
No. of Spectra 110
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 7/1/2026 4:02:57 PM
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Identificators

InChI InChI=1S/C7H12O4/c1-5(4-7(10)11)2-3-6(8)9/h5H,2-4H2,1H3,(H,8,9)(H,10,11)/t5-/m0/s1
InChI Key SYEOWUNSTUDKGM-YFKPBYRVSA-N
Canonical SMILES C[C@@H](CCC(=O)O)CC(=O)O
CAS
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Other Names AA-4166

In Other Databases

HMDb HMDB0000555; HMDB0000555; HMDB0000555
ChemSpider 5367267
PubChem 6999745; 6999745