trans-Petroselinic acid

enlarge

Systematic / IUPAC Name: (6E)-6-Octadecenoic acid

ID: Reference9851

Other Names: (6E)-Octadec-6-enoic acid;
(E)-6-Octadecenoic acid;
(E)-Octadec-6-enoic acid;
6E-Octadecenoic acid;
6-Octadecenoic acid ; more

Formula: C18H34O2

Class: Endogenous Metabolites

Spectral Data

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

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion with FAIMS
No. of Spectral Trees 1
No. of Spectra 472
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 8/6/2020 11:11:10 AM
View Mass Spec Data > >

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-OUKQBFOZSA-N
Canonical SMILES CCCCCCCCCCCC=CCCCCC(=O)O
CAS 593408
Splash
Other Names (6E)-Octadec-6-enoic acid;
(E)-6-Octadecenoic acid;
(E)-Octadec-6-enoic acid;
6E-Octadecenoic acid;
6-Octadecenoic acid;
Petroselaidic acid;
Petroselenic acid;
trans-6-Octadecenoic acid;
trans-δ(6)-Octadecenoic acid;
trans-Octadec-6-enoic acid

In Other Databases

HMDb HMDB0002080
ChEBI CHEBI:30829
ChemIDPlus 000593395
PubChem 5282754
ChemSpider 4445881