Petroselinic Acid

Petroselinic Acid bmse000852 - Data

Petroselinic_acid synonyms

cis-petroselinic acid; Petroseleninsaeure; (6Z)-Octadecenoic acid; cis-omega-12-octadecenoic acid; Octadec-6c-ensaere; cis-Delta(6)-octadecenoic acid; cis-6-Octadecenoic acid; (Z)-6-octadecenoic acid; (6Z)-petroselinic acid; (6Z)-6-Octadecenoic acid; Petroselinsaeure

Wikipedia:

Graphical representations:

petroselinic_acid

View large 3D structure

Molecular Formula: C18H34O2

Natural Isotopic Abundance Mass: 282.46136

Mono-Isotopic Molecular Masses:

  • C12N14: 282.2558803356
  • C13N14: 300.316267416
  • C12N15: 282.2558803356
  • C13N15: 300.316267416

InChI string: 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-

PubChem Compound (CID): 5281125
CAS Registry number: 593-39-5
MMCD: cq_05053
MDL number: MFCD00046561
CAS Registry number: 593-39-5
Sigma-Aldrich: P8750_SIGMA
ChEBI: CHEBI:28194
LipidMAPS: LMFA01030066
KEGG Compound ID: C08363
NIST Chemistry WebBook: 3457095772

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)