Molecule ID: 5280388

IUPAC Name: 7-[2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopenten-1-yl]heptanoic acid

Description: The molecule is a member of the class of prostaglandins B that is prosta-8(12),13-dien-1-oic acid carrying oxo and hydroxy substituents at positions 9 and 15 respectively (the 13E,15S-stereoisomer). It has a role as a human metabolite. It is a conjugate acid of a prostaglandin B1(1-).

SMILES: CCCCC[C@H](O)/C=C/C1=C(CCCCCCC(=O)O)C(=O)CC1

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

InChI: InChI=1S/C20H32O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12,14,17,21H,2-11,13,15H2,1H3,(H,23,24)/b14-12+/t17-/m0/s1

Molecular Properties:
- Polar Surface Area: 74.6 Ų
- LogP: 4.0