20-hydroxy-E4-neuroprostane

Properties Image MNX_ID MNXM734703 reference chebi:174982 formula C22H32O5 global charge 0 mol weight 376.493 InChIKey BIHPRUQXOKWQGU-KBUBQVDUSA-N InChI InChI=1S/C22H32O5/c1-2-17(23)14-15-19-18(20(24)16-21(19)25)12-10-8-6-4-3-5-7-9-11-13-22(26)27/h3-4,7-10,14-15,17-19,21,23,25H,2,5-6,11-13,16H2,1H3,(H,26,27)/b4-3-,9-7-,10-8-,15-14+ SMILES CCC(O)/C=C/C1C(O)CC(=O)C1C/C=C\C/C=C\C/C=C\CCC(=O)O MNX internals InChI (mnx) InChI=1/C22H32O5/c1-2-17(23)14-15-19-18(20(24)16-21(19)25)12-10-8-6-4-3-5-7-9-11-13-22(26)27/h3-4,7-10,14-15,17-19,21,23,25H,2,5-6,11-13,16H2,1H3,(H,26,27)/b4-3-,9-7-,10-8-,15-14+/t17?,18?,19?,21? SMILES (mnx) [CH3:1][CH2:2][CH:17](/[CH:14]=[CH:15]/[CH:19]1[CH:18]([CH2:12]/[CH:10]=[CH:8]\[CH2:6]/[CH:4]=[CH:3]\[CH2:5]/[CH:7]=[CH:9]\[CH2:11][CH2:13][C:22](=[O:26])[OH:27])[C:20](=[O:24])[CH2:16][CH:21]1[OH:25])[OH:23]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 1