Heptadecanoic acid

enlarge

Systematic / IUPAC Name: Heptadecanoic acid

ID: Reference13991

Other Names: Margaric acid;
AA2639

Formula: C17H34O2

Class: Endogenous Metabolites

Spectral Data

Heptadecanoic 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 ID-X with ETD_Cal Gateshead
No. of Spectral Trees 1
No. of Spectra 237
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 8/7/2026 9:51:51 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-16H2,1H3,(H,18,19)
InChI Key KEMQGTRYUADPNZ-UHFFFAOYSA-N
Canonical SMILES CCCCCCCCCCCCCCCCC(=O)O
CAS
Splash
Other Names Margaric acid;
AA2639

In Other Databases

Wikipedia Heptadecanoic acid
HMDb HMDB0002259; HMDB0002259; HMDB02259
ChemSpider More details; 10033
PubChem 10465; 10465
ChEBI CHEBI:32365
ChEMBL CHEMBL1172910