Molecule ID: 122391338

IUPAC Name: (5Z,8Z,10E,12E,14R,15S)-14,15-dihydroxyicosa-5,8,10,12-tetraenoate

Description: The molecule is a DiHETE(1-) that is the conjugate base of 14(R),15(S)-DiHETE arising from deprotonation of the carboxylic acid function; major species at pH 7.3. It is a dihydroxyicosatetraenoate and a long-chain fatty acid anion. It is a conjugate base of a 14(R),15(S)-DiHETE.

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

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

InChI: InChI=1S/C20H32O4/c1-2-3-12-15-18(21)19(22)16-13-10-8-6-4-5-7-9-11-14-17-20(23)24/h4,6-10,13,16,18-19,21-22H,2-3,5,11-12,14-15,17H2,1H3,(H,23,24)/p-1/b6-4-,9-7-,10-8+,16-13+/t18-,19+/m0/s1

Molecular Properties:
- Polar Surface Area: 80.6 Ų
- LogP: 4.8