Molecule ID: 132472347

IUPAC Name: (7R,8E,10E,12Z,14S,16Z,19Z)-7,14-dihydroxydocosa-8,10,12,16,19-pentaenoate

Description: The molecule is a docosanoid anion that is the conjugate base of (7R,14S)-dihydroxy-(8E,10E,12Z,16Z,19Z)-docosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a docosanoid anion, a hydroxy polyunsaturated fatty acid anion and a long-chain fatty acid anion. It is a conjugate base of a (7R,14S)-dihydroxy-(8E,10E,12Z,16Z,19Z)-docosapentaenoic acid.

SMILES: CC/C=C\C/C=C\C[C@H](O)/C=C\C=C\C=C\[C@H](O)CCCCCC(=O)[O-]

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

InChI: InChI=1S/C22H34O4/c1-2-3-4-5-6-10-15-20(23)16-11-7-8-12-17-21(24)18-13-9-14-19-22(25)26/h3-4,6-8,10-12,16-17,20-21,23-24H,2,5,9,13-15,18-19H2,1H3,(H,25,26)/p-1/b4-3-,8-7+,10-6-,16-11-,17-12+/t20-,21-/m0/s1

Molecular Properties:
- Polar Surface Area: 80.6 Ų
- LogP: 5.0