Molecule ID: 86583451

IUPAC Name: (13Z,16Z,19Z,22Z)-2-hydroxyoctacosa-13,16,19,22-tetraenoic acid

Description: The molecule is an ultra-long-chain fatty acid that is (13Z,16Z,19Z,22Z)-octacosatetraenoic acid substituted at position 2 by a hydroxy group. It is a 2-hydroxy fatty acid, a hydroxy polyunsaturated fatty acid and an ultra-long-chain fatty acid. It derives from a (13Z,16Z,19Z,22Z)-octacosatetraenoic acid. It is a conjugate acid of a (13Z,16Z,19Z,22Z)-2-hydroxyoctacosatetraenoate.

SMILES: CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCC(O)C(=O)O

SELFIES: [C][C][C][C][C][/C][=C][\C][/C][=C][\C][/C][=C][\C][/C][=C][\C][C][C][C][C][C][C][C][C][C][C][Branch1][C][O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C28H48O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(29)28(30)31/h6-7,9-10,12-13,15-16,27,29H,2-5,8,11,14,17-26H2,1H3,(H,30,31)/b7-6-,10-9-,13-12-,16-15-

Molecular Properties:
- Polar Surface Area: 57.5 Ų
- LogP: 9.9