Petroselinic acid

• Petroselinic acid
• bmse000852 - data

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