Molecule ID: 132472323

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

Description: The molecule is a docosanoid that is (15E,19Z)-docosa-9,11,13,15,19-pentaenoic acid carrying three hydroxy substituents at positions 7S, 8 and 17S. An intermediate of specialised proresolving mediators It has a role as a specialised pro-resolving mediator and a human xenobiotic metabolite. It is a docosanoid and a hydroxy polyunsaturated fatty acid. It is a conjugate acid of a (7S,8,17S)-trihydroxy-(15E,19Z)-docosa-9,11,13,15,19-pentaenoate.

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]

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)/b6-4?,7-5?,9-3-,15-10+,16-11?/t19-,20?,21-/m0/s1

Molecular Properties:
- Polar Surface Area: 98.0 Ų
- LogP: 3.4