trans-6-Hexadecenoic acid

Synonyms: trans-6-Hexadecenoic acid, "7-palmitoleic acid", "6E-Hexadecenoic acid", "AC1NR0PF", "(e)-6-hexadecenoic acid", "(E)-hexadec-6-enoic acid"

Source: trans-6- hexadecenoic acid is present in spadefish liver oil.

Identifiers:

IUPAC Name: (E)-hexadec-6-enoic acid
CAS Number: 28290-76-8
PubChem ID: 5282744
InChiKey: NNNVXFKZMRGJPM-ZHACJKMWSA-N
Canonical SMILES: CCCCCCCCCC=CCCCCC(=O)O

Structural Properties:

Molecular Formula: C₁₆H₃₀O₂
Molecular Weight: 254,410

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 2
Number of atoms different from hydrogen: 18

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3D structure (.sdf)
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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.

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2D-structure

3D-structure