Molecule ID: 132472356

IUPAC Name: (7S,15E,17S,19Z)-7,8,17-trihydroxydocosa-9,11,13,15,19-pentaenoate

Description: The molecule is a docosanoid anion that is the conjugate base of (7S,8,17S)-trihydroxy-(15E,19Z)-docosa-9,11,13,15,19-pentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a docosanoid anion and a hydroxy polyunsaturated fatty acid anion. It is a conjugate base of a (7S,8,17S)-trihydroxy-(15E,19Z)-docosa-9,11,13,15,19-pentaenoic acid.

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

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

InChI: InChI=1S/C22H34O5/c1-2-3-9-14-19(23)15-10-6-4-5-7-11-16-20(24)21(25)17-12-8-13-18-22(26)27/h3-7,9-11,15-16,19-21,23-25H,2,8,12-14,17-18H2,1H3,(H,26,27)/p-1/b6-4?,7-5?,9-3-,15-10+,16-11?/t19-,20?,21-/m0/s1

Molecular Properties:
- Polar Surface Area: 101.0 Ų
- LogP: 4.1