Molecule ID: 56927912

IUPAC Name: (Z)-7-[(1R,2S,5Z)-2-hydroxy-5-[(E)-oct-2-enylidene]cyclopent-3-en-1-yl]hept-5-enoic acid

Description: The molecule is a prostaglandin D derivative that is prostaglandin D2 lacking the 15-hydroxy group and having C=C double bonds at positions 12(13) and 14(15). It derives from a prostaglandin D2.

SMILES: CCCCC/C=C/C=C1/C=C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O

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

InChI: InChI=1S/C20H30O3/c1-2-3-4-5-6-9-12-17-15-16-19(21)18(17)13-10-7-8-11-14-20(22)23/h6-7,9-10,12,15-16,18-19,21H,2-5,8,11,13-14H2,1H3,(H,22,23)/b9-6+,10-7-,17-12-/t18-,19+/m1/s1

Molecular Properties:
- Polar Surface Area: 57.5 Ų
- LogP: 4.5