16,16-Dimethyl-PGF2beta

Properties Image MNX_ID MNXM33502 reference chebi:165307 formula C22H38O5 global charge 0 mol weight 382.541 InChIKey YMRWVEHSLXJOCD-OPVFONCOSA-N InChI InChI=1S/C22H38O5/c1-4-5-14-22(2,3)20(25)13-12-17-16(18(23)15-19(17)24)10-8-6-7-9-11-21(26)27/h6,8,12-13,16-20,23-25H,4-5,7,9-11,14-15H2,1-3H3,(H,26,27)/b8-6-,13-12+/t16-,17-,18-,19-,20-/m1/s1 SMILES CCCCC(C)(C)[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@H](O)C[C@H]1O MNX internals InChI (mnx) InChI=1/C22H38O5/c1-4-5-14-22(2,3)20(25)13-12-17-16(18(23)15-19(17)24)10-8-6-7-9-11-21(26)27/h6,8,12-13,16-20,23-25H,4-5,7,9-11,14-15H2,1-3H3,(H,26,27)/b8-6-,13-12+/t16-,17-,18-,19-,20-/m1/s1 SMILES (mnx) [CH3:1][CH2:4][CH2:5][CH2:14][C:22]([CH3:2])([CH3:3])[C@@H:20](/[CH:13]=[CH:12]/[C@@H:17]1[C@@H:16]([CH2:10]/[CH:8]=[CH:6]\[CH2:7][CH2:9][CH2:11][C:21](=[O:26])[OH:27])[C@H:18]([OH:23])[CH2:15][C@H:19]1[OH:24])[OH:25]

Parent-child relations graph

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