Molecule ID: 132472351

IUPAC Name: (7Z,10R,11E,13E,15Z,17S,19Z)-10,17-dihydroxydocosa-7,11,13,15,19-pentaenoate

Description: The molecule is a docosanoid anion that is the conjugate base of (10R,17S)-dihydroxy-(7Z,11E,13E,15Z,19Z)-docosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a hydroxy polyunsaturated fatty acid anion and a docosanoid anion. It is a conjugate base of a (10R,17S)-dihydroxy-(7Z,11E,13E,15Z,19Z)-docosapentaenoic acid.

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

SELFIES: [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][C][C][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C22H34O4/c1-2-3-10-15-20(23)17-12-8-9-13-18-21(24)16-11-6-4-5-7-14-19-22(25)26/h3,6,8-13,17-18,20-21,23-24H,2,4-5,7,14-16,19H2,1H3,(H,25,26)/p-1/b9-8+,10-3-,11-6-,17-12-,18-13+/t20-,21+/m0/s1

Molecular Properties:
- Polar Surface Area: 80.6 Ų
- LogP: 5.1