20-Ethyl-PGE2

Properties Image MNX_ID MNXM35486 reference chebi:165320 formula C22H36O5 global charge 0 mol weight 380.525 InChIKey NXMMZTNQIJBMBC-QKIVIXBWSA-N InChI InChI=1S/C22H36O5/c1-2-3-4-5-8-11-17(23)14-15-19-18(20(24)16-21(19)25)12-9-6-7-10-13-22(26)27/h6,9,14-15,17-19,21,23,25H,2-5,7-8,10-13,16H2,1H3,(H,26,27)/b9-6-,15-14+/t17-,18+,19+,21+/m0/s1 SMILES CCCCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O MNX internals InChI (mnx) InChI=1/C22H36O5/c1-2-3-4-5-8-11-17(23)14-15-19-18(20(24)16-21(19)25)12-9-6-7-10-13-22(26)27/h6,9,14-15,17-19,21,23,25H,2-5,7-8,10-13,16H2,1H3,(H,26,27)/b9-6-,15-14+/t17-,18+,19+,21+/m0/s1 SMILES (mnx) [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:8][CH2:11][C@@H:17](/[CH:14]=[CH:15]/[C@@H:19]1[C@@H:18]([CH2:12]/[CH:9]=[CH:6]\[CH2:7][CH2:10][CH2:13][C:22](=[O:26])[OH:27])[C:20](=[O:24])[CH2:16][C@H:21]1[OH:25])[OH:23]

Parent-child relations graph

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