16-Hydroxyhexadecanoic acid

Synonyms: 16-Hydroxyhexadecanoic acid, "Juniperic acid", "Palmitic acid, 16-hydroxy-", "omega-Hydroxypalmitic acid", "16-hydroxy-hexadecanoic acid", "16-hydroxy hexadecanoic acid", "hydroxy hexadecanoate", "w-hydroxy hexadecanoate", "hydroxy hexadecanoic acid", "16-Hydoxy hexadecanoate"

Source: 16-Hydroxyhexadecanoic acid comes from consumption of plant products or from cow?s milk.

Identifiers:

IUPAC Name: 16-hydroxyhexadecanoic acid
CAS Number: 506-13-8
PubChem ID: 10466
InChiKey: UGAGPNKCDRTDHP-UHFFFAOYSA-N
Canonical SMILES: C(CCCCCCCC(=O)O)CCCCCCCO

Structural Properties:

Molecular Formula: C₁₆H₃₂O₃
Molecular Weight: 272,420

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 3
Number of atoms different from hydrogen: 19

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

Khalid, N. K., Devadasan, D., Aravind, U. K., & Aravindakumar, C. T. (2018). Screening and quantification of emerging contaminants in Periyar River, Kerala (India) by using high-resolution mass spectrometry (LC-Q-ToF-MS). Environmental monitoring and assessment, 190(6), 370.

External Links

PubChem

PubMed (general search)

PubMed (search as emerging contaminant)

2D-structure

3D-structure