17-phenyl-trinor-PGF2alpha isopropyl ester

Properties Image MNX_ID MNXM33633 reference chebi:137717 formula C26H38O5 global charge 0 mol weight 430.585 InChIKey JGZRPRSJSQLFBO-FWPUOYPASA-N InChI InChI=1S/C26H38O5/c1-19(2)31-26(30)13-9-4-3-8-12-22-23(25(29)18-24(22)28)17-16-21(27)15-14-20-10-6-5-7-11-20/h3,5-8,10-11,16-17,19,21-25,27-29H,4,9,12-15,18H2,1-2H3/b8-3-,17-16+/t21-,22+,23+,24-,25+/m0/s1 SMILES CC(C)OC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)CCC2=CC=CC=C2)[C@H](O)C[C@@H]1O MNX internals InChI (mnx) InChI=1/C26H38O5/c1-19(2)31-26(30)13-9-4-3-8-12-22-23(25(29)18-24(22)28)17-16-21(27)15-14-20-10-6-5-7-11-20/h3,5-8,10-11,16-17,19,21-25,27-29H,4,9,12-15,18H2,1-2H3/b8-3-,17-16+/t21-,22+,23+,24-,25+/m0/s1 SMILES (mnx) [CH3:1][CH:19]([CH3:2])[O:31][C:26]([CH2:13][CH2:9][CH2:4]/[CH:3]=[CH:8]\[CH2:12][C@@H:22]1[C@@H:23](/[CH:17]=[CH:16]/[C@H:21]([CH2:15][CH2:14][C:20]2=[CH:10][CH:6]=[CH:5][CH:7]=[CH:11]2)[OH:27])[C@H:25]([OH:29])[CH2:18][C@@H:24]1[OH:28])=[O:30]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0