(Z)-9-Heptadecenoic acid

Synonyms: 9Z-Heptadecenoic acid, "cis-9-heptadecenoic acid", "Margaroleic acid", "(Z)-heptadec-9-enoic acid", "(Z)-9-Heptadecenoic acid", "9-heptadecylenic acid", "9Z-Heptadecenoate", "(9Z)-heptadecenoic acid", "(9Z)-heptadec-9-enoic acid"

Source: (Z)-9-Heptadecenoic acid is an antifungal fatty acid produced by the biocontrol agent Pseudozyma flocculosa.

Identifiers:

IUPAC Name: (Z)-heptadec-9-enoic acid
CAS Number: 1981-50-6
PubChem ID: 5282748
InChiKey: QSBYPNXLFMSGKH-HJWRWDBZSA-N
Canonical SMILES: CCCCCCCC=CCCCCCCCC(=O)O

Structural Properties:

Molecular Formula: C₁₇H₃₂O₂
Molecular Weight: 268,400

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 2
Number of atoms different from hydrogen: 19

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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