8-iso-PGF2alpha III-EA

Properties Image MNX_ID MNXM39416 reference chebi:187201 formula C22H39NO5 global charge 0 mol weight 397.556 InChIKey XCVCLIRZZCGEMU-JJPTUHNDSA-N InChI InChI=1S/C22H39NO5/c1-2-3-6-9-17(25)12-13-19-18(20(26)16-21(19)27)10-7-4-5-8-11-22(28)23-14-15-24/h4,7,12-13,17-21,24-27H,2-3,5-6,8-11,14-16H2,1H3,(H,23,28)/b7-4-,13-12+/t17-,18-,19+,20-,21+/m0/s1 SMILES CCCCC[C@H](O)/C=C/[C@@H]1[C@H](C/C=C\CCCC(=O)NCCO)[C@@H](O)C[C@H]1O MNX internals InChI (mnx) InChI=1/C22H39NO5/c1-2-3-6-9-17(25)12-13-19-18(20(26)16-21(19)27)10-7-4-5-8-11-22(28)23-14-15-24/h4,7,12-13,17-21,24-27H,2-3,5-6,8-11,14-16H2,1H3,(H,23,28)/b7-4-,13-12+/t17-,18-,19+,20-,21+/m0/s1 SMILES (mnx) [CH3:1][CH2:2][CH2:3][CH2:6][CH2:9][C@@H:17](/[CH:12]=[CH:13]/[C@@H:19]1[C@H:18]([CH2:10]/[CH:7]=[CH:4]\[CH2:5][CH2:8][CH2:11][C:22](=[N:23][CH2:14][CH2:15][OH:24])[OH:28])[C@@H:20]([OH:26])[CH2:16][C@H:21]1[OH:27])[OH:25]

Parent-child relations graph

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