Molecule ID: 129011080

IUPAC Name: 1,3-dihydroxypropan-2-yl (5Z)-5-[(3aR,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoate

Description: The molecule is a 2-monoglyceride obtained by formal condensation of the carboxy group of prostaglandin I2 with the 2-hydroxy group of glycerol. It has a role as a human metabolite. It is a 2-monoglyceride, a secondary allylic alcohol, a prostaglandins I and a diol. It derives from a prostaglandin I2.

SMILES: CCCCC[C@H](O)/C=C/[C@@H]1[C@H]2C/C(=C/CCCC(=O)OC(CO)CO)O[C@H]2C[C@H]1O

SELFIES: [C][C][C][C][C][C@H1][Branch1][C][O][/C][=C][/C@@H1][C@H1][C][/C][=Branch1][P][=C][/C][C][C][C][=Branch1][C][=O][O][C][Branch1][Ring1][C][O][C][O][O][C@H1][Ring1][P][C][C@H1][Ring2][Ring1][Ring2][O]

InChI: InChI=1S/C23H38O7/c1-2-3-4-7-16(26)10-11-19-20-12-17(29-22(20)13-21(19)27)8-5-6-9-23(28)30-18(14-24)15-25/h8,10-11,16,18-22,24-27H,2-7,9,12-15H2,1H3/b11-10+,17-8-/t16-,19+,20+,21+,22-/m0/s1

Molecular Properties:
- Polar Surface Area: 116.0 Ų
- LogP: 2.0