Molecule ID: 11610019

IUPAC Name: (5S,6Z,8E,10E,12R,14Z)-5,12,18-trihydroxyicosa-6,8,10,14-tetraenoic acid

Description: The molecule is a leukotriene that is leukotriene B4 carrying an additional hydroxy substituent at position 18. It has a role as a mouse metabolite. It is a leukotriene, a long-chain fatty acid, a secondary allylic alcohol, a triol and a hydroxy polyunsaturated fatty acid. It derives from a leukotriene B4. It is a conjugate acid of a 18-hydroxyleukotriene B4(1-).

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

SELFIES: [C][C][C][Branch1][C][O][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/c1-2-17(21)11-8-5-9-14-18(22)12-6-3-4-7-13-19(23)15-10-16-20(24)25/h3-7,9,12-13,17-19,21-23H,2,8,10-11,14-16H2,1H3,(H,24,25)/b4-3+,9-5-,12-6+,13-7-/t17?,18-,19+/m0/s1

Molecular Properties:
- Polar Surface Area: 98.0 Ų
- LogP: 2.6