Petroselinic acid

Synonyms: cis-6-Octadecenoic acid, "(Z)-Octadec-6-enoic acid", "Petroselinsaeure", "(6Z)-Octadecenoic acid", "Petroseleninsaeure", "(6Z)-6-Octadecenoic acid", "Octadec-6c-ensaere", "cis-petroselinic acid", "6-octadecylenic acid", "6Z-octadecenoic acid", "(6Z)-petroselinic acid", "cis-octadec-6-enoic acid", "(Z)-6-octadecenoic acid", "(6Z)-octadec-6-enoic acid", "cis-omega-12-octadecenoic acid", "cis-Delta(6)-octadecenoic acid", "5-heptadecylene-1-carboxylic acid"

Source: Petroselinic acid is a fatty acid that occurs naturally in several animal and vegetable fats and oils.

Identifiers:

IUPAC Name: (Z)-octadec-6-enoic acid
CAS Number: 593-39-5
PubChem ID: 5281125
InChiKey: CNVZJPUDSLNTQU-SEYXRHQNSA-N
Canonical SMILES: CCCCCCCCCCCC=CCCCCC(=O)O

Structural Properties:

Molecular Formula: C₁₈H₃₄O₂
Molecular Weight: 282,500

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 2
Number of atoms different from hydrogen: 20

Downloads

2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

Search Similar molecules

Evidence Supporting This Chemical as an Emerging Contaminant

Syakti, A. D., Ahmed, M. M., Hidayati, N. V., Hilmi, E., Sulystyo, I., Piram, A., & Doumenq, P. (2013). Screening of emerging pollutants in the mangrove of Segara Anakan Nature Reserve, Indonesia. IERI Procedia, 5, 216-222.

External Links

PubChem

PubMed (general search)

PubMed (search as emerging contaminant)

2D-structure

3D-structure