Molecule ID: 5312765

IUPAC Name: (5E,8E,10E)-12-hydroxyheptadeca-5,8,10-trienoic acid

Description: The molecule is a trienoic fatty acid that consists of heptadeca-5,8,10-trienoic acid bearing an additional 12-hydroxy substituent. It has a role as a metabolite. It is a long-chain fatty acid, a trienoic fatty acid and a hydroxy polyunsaturated fatty acid. It derives from a heptadecanoic acid.

SMILES: CCCCCC(O)/C=C/C=C/C/C=C/CCCC(=O)O

SELFIES: [C][C][C][C][C][C][Branch1][C][O][/C][=C][/C][=C][/C][/C][=C][/C][C][C][C][=Branch1][C][=O][O]

InChI: InChI=1S/C17H28O3/c1-2-3-10-13-16(18)14-11-8-6-4-5-7-9-12-15-17(19)20/h5-8,11,14,16,18H,2-4,9-10,12-13,15H2,1H3,(H,19,20)/b7-5+,8-6+,14-11+

Molecular Properties:
- Polar Surface Area: 57.5 Ų
- LogP: 4.1