Molecule ID: 132282536

IUPAC Name: (4Z,7Z,10Z,12E,14S,16Z)-14-hydroxydocosa-4,7,10,12,16-pentaenoate

Description: The molecule is a hydroxydocosapentaenoate that is the conjugate base of (4Z,7Z,10Z,12E,14S,16Z)-14-hydroxydocosapentaenoic acid, arising from deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a (4Z,7Z,10Z,12E,14S,16Z)-14-hydroxydocosapentaenoic acid.

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

SELFIES: [C][C][C][C][C][/C][=C][\C][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/C22H34O3/c1-2-3-4-5-12-15-18-21(23)19-16-13-10-8-6-7-9-11-14-17-20-22(24)25/h6-7,10-16,19,21,23H,2-5,8-9,17-18,20H2,1H3,(H,24,25)/p-1/b7-6-,13-10-,14-11-,15-12-,19-16+/t21-/m0/s1

Molecular Properties:
- Polar Surface Area: 60.4 Ų
- LogP: 6.4