Molecule ID: 102571778

IUPAC Name: (5Z,8E,10E,12S)-12-hydroxyheptadeca-5,8,10-trienoate

Description: The molecule is a polyunsaturated fatty acid anion that is the conjugate base of 12(S)-HHTrE, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a long-chain fatty acid anion and a hydroxy polyunsaturated fatty acid anion. It is a conjugate base of a 12S-HHTrE.

SMILES: CCCCC[C@H](O)/C=C/C=C/C/C=C\CCCC(=O)[O-]

SELFIES: [C][C][C][C][C][C@H1][Branch1][C][O][/C][=C][/C][=C][/C][/C][=C][\C][C][C][C][=Branch1][C][=O][O-1]

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)/p-1/b7-5-,8-6+,14-11+/t16-/m0/s1

Molecular Properties:
- Polar Surface Area: 60.4 Ų
- LogP: 4.8