2-Hydroxycaproic acid

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Systematic / IUPAC Name: 2-Hydroxyhexanoic acid

ID: Reference153

Other Names: 2-Hydroxy-hexanoic acid;
2-Hydroxyhexanoate;
Hydroxycaproate;
Hydroxyhexanoate;
2-Hydroxycaproate ; more

Formula: C6H12O3

Class: Endogenous Metabolites

Spectral Data

2-Hydroxycaproic 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 114
Tandem Spectra MS1, MS2, MS3
Ionization Methods ESI
Analyzers FT
Last Modification 10/10/2016 12:39:27 PM
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Identificators

InChI InChI=1S/C6H12O3/c1-2-3-4-5(7)6(8)9/h5,7H,2-4H2,1H3,(H,8,9)
InChI Key NYHNVHGFPZAZGA-UHFFFAOYSA-N
Canonical SMILES CCCCC(C(=O)O)O
CAS 6064637
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Other Names 2-Hydroxy-hexanoic acid;
2-Hydroxyhexanoate;
Hydroxycaproate;
Hydroxyhexanoate;
2-Hydroxycaproate;
Hydroxy-n-caproate;
Hydroxycaproic acid;
Hydroxyhexanoic acid;
Hydroxy-n-caproic acid

In Other Databases

ChemIDPlus 006064637
PubChem 99824
ChemSpider 90191
HMDb HMDB01624
LipidsMAPs LMFA01050011