Molecule ID: 132472346

IUPAC Name: (7Z,9E,11E,14S,16Z,19Z)-13,14-dihydroxydocosa-7,9,11,16,19-pentaenoate

Description: The molecule is a docosanoid anion that is the conjugate base of 13,14(S)-dihydroxy-(7Z,9E,11E,16Z,19Z)-docosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a docosanoid anion, a long-chain fatty acid anion and a hydroxy polyunsaturated fatty acid anion. It is a conjugate base of a 13,14(S)-dihydroxy-(7Z,9E,11E,16Z,19Z)-docosapentaenoic acid.

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

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

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

Molecular Properties:
- Polar Surface Area: 80.6 Ų
- LogP: 5.3