Petroselinic acid

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Systematic / IUPAC Name: (Z)-Octadec-6-enoic acid

ID: Reference13770

Other Names: (6Z)-Octadecenoic acid;
AA-3863

Formula: C18H34O2

Class: Endogenous Metabolites

Spectral Data

Petroselinic 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 499
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 2/19/2026 12:38:06 PM
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Identificators

InChI InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h12-13H,2-11,14-17H2,1H3,(H,19,20)/b13-12-
InChI Key CNVZJPUDSLNTQU-SEYXRHQNSA-N
Canonical SMILES CCCCCCCCCCC/C=C\CCCCC(=O)O
CAS
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Other Names (6Z)-Octadecenoic acid;
AA-3863

In Other Databases

PubChem 5281125; 5281125
ChEBI CHEBI:28194
ChEMBL CHEMBL3139878
KEGG C08363
Wikipedia Petroselinic acid
ChemSpider 4444569