Dataset

Heptadecanoic acid; LC-ESI-QTOF; MS

This MassBank record with Accession MSBNK-BS-BS003909 contains the MS mass spectrum of Heptadecanoic acid with the InChIkey KEMQGTRYUADPNZ-UHFFFAOYSA-N.

Chemical Information

molecular Image
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)
SMILES C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(=O)O[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])([H])[H]
InChI Key KEMQGTRYUADPNZ-UHFFFAOYSA-N
Molecular Formula C17H34O2
Exact Mass 270.256 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003909
Version
Author
Maintainer
Language
MetadataPublished 2017-12-01
Related Molecule
  • heptadecanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:32365 chebi
    LMFA01010017 lipidmaps
    X90 rcsb_pdb
    CHEMBL1172910 chembl
    5941 surechembl
    10465 pubchem
    V987Y9OZ8L fdasrs
    PD044692 probes_and_drugs
    DARWAU CCDC
    34623 brenda
    HMDB0002259 hmdb
    Molport-003-935-603 molport
    50647301 bindingdb
    The data in this table is sourced from UniChem at EBI.