Molecule ID: 11725572

IUPAC Name: (5S,6Z,8E,10E,12R,14Z)-5,12,19-trihydroxyicosa-6,8,10,14-tetraenoic acid

Description: The molecule is a leukotriene that is leukotriene B4 carrying an additional hydroxy substituent at position 19. It has a role as a mouse metabolite and a rat metabolite. It is a leukotriene, a long-chain fatty acid, a triol, a secondary allylic alcohol and a hydroxy polyunsaturated fatty acid. It derives from a leukotriene B4. It is a conjugate acid of a 19-hydroxyleukotriene B4(1-).

SMILES: CC(O)CCC/C=C\C[C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(=O)O

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

InChI: InChI=1S/C20H32O5/c1-17(21)11-6-2-3-7-12-18(22)13-8-4-5-9-14-19(23)15-10-16-20(24)25/h3-5,7-9,13-14,17-19,21-23H,2,6,10-12,15-16H2,1H3,(H,24,25)/b5-4+,7-3-,13-8+,14-9-/t17?,18-,19-/m1/s1

Molecular Properties:
- Polar Surface Area: 98.0 Ų
- LogP: 2.4