12-Hydroxystearic acid

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Systematic / IUPAC Name: 12-Hydroxyoctadecanoic acid

ID: Reference14050

Other Names: 12-HSA;
AA-2670

Formula: C18H36O3

Class: Endogenous Metabolites

Spectral Data

12-Hydroxystearic 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 2
No. of Spectra 1568
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 8/31/2026 8:49:53 AM
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Identificators

InChI InChI=1S/C18H36O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)
InChI Key ULQISTXYYBZJSJ-UHFFFAOYSA-N
Canonical SMILES CCCCCCC(O)CCCCCCCCCCC(=O)O
CAS
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Other Names 12-HSA;
AA-2670

In Other Databases

ChemSpider More details; 7501
HMDb HMDB0061706; HMDB61706
PubChem 7789; 7789
ChEMBL CHEMBL292352
ChEBI CHEBI:85208