Molecule ID: 5280534

IUPAC Name: 3-[(2R,3R)-3-[(2E,4E,6Z,9Z)-pentadeca-2,4,6,9-tetraenyl]oxiran-2-yl]propanoic acid

Description: The molecule is a leukotriene whose structure comprises leukotriene A4 having a (4R,5R)-epoxy group. It is a leukotriene, an epoxy fatty acid and a polyunsaturated fatty acid. It derives from a leukotriene A4.

SMILES: CCCCC/C=C\C/C=C\C=C\C=C\C[C@H]1O[C@@H]1CCC(=O)O

SELFIES: [C][C][C][C][C][/C][=C][\C][/C][=C][\C][=C][\C][=C][\C][C@H1][O][C@@H1][Ring1][Ring1][C][C][C][=Branch1][C][=O][O]

InChI: InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-19(23-18)16-17-20(21)22/h6-7,9-14,18-19H,2-5,8,15-17H2,1H3,(H,21,22)/b7-6-,10-9-,12-11+,14-13+/t18-,19-/m1/s1

Molecular Properties:
- Polar Surface Area: 49.8 Ų
- LogP: 5.5