Wikipedia:  

Petroselinic acid

Petroselinic acid; 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
Molecular Formula
C18 H34 O2
Natural Isotopic Abundance Mass
282.46136
Mono-Isotopic Molecular Masses
C12N14:   282.2558803356
C13N14:   300.316267416
C12N15:   282.2558803356
C13N15:   300.316267416
Petroselinic acid image
Petroselinic acid
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-

canonical SMILES:
CCCCCCCCCCCC=CCCCCC(=O)O
isomeric SMILES:
CCCCCCCCCCC/C=C\CCCCC(=O)O


PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac SYSTEMATIC NAME
(Z)-octadec-6-enoic acid

PUBCHEM iupac TRADITIONAL NAME
petroselinic acid

PUBCHEM iupac CAS NAME
(Z)-6-octadecenoic acid



PubChem Substance (SID):   126596892   24898972   7849934
PubChem Compound (CID):   5281125
KEGG: Compound ID   C08363
CAS Registry IDs:   593-39-5
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   CAS 593-39-5   MMCD cq_05053   MDL number MFCD00046561   Sigma-Aldrich P8750_SIGMA   ChEBI CHEBI:28194   LipidMAPS LMFA01030066   NIST Chemistry WebBook 3457095772

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.