4-hydroxy-D4-neuroprostane

Properties Image MNX_ID MNXM735066 reference chebi:174983 formula C22H32O5 global charge 0 mol weight 376.493 InChIKey IDXBOXWUWDDSSX-GSPMAKDWSA-N InChI InChI=1S/C22H32O5/c1-2-3-4-5-6-7-8-9-10-11-18-19(21(25)16-20(18)24)14-12-17(23)13-15-22(26)27/h3-4,6-7,9-10,12,14,17-19,21,23,25H,2,5,8,11,13,15-16H2,1H3,(H,26,27)/b4-3-,7-6-,10-9-,14-12+ SMILES CC/C=C\C/C=C\C/C=C\CC1C(=O)CC(O)C1/C=C/C(O)CCC(=O)O MNX internals InChI (mnx) InChI=1/C22H32O5/c1-2-3-4-5-6-7-8-9-10-11-18-19(21(25)16-20(18)24)14-12-17(23)13-15-22(26)27/h3-4,6-7,9-10,12,14,17-19,21,23,25H,2,5,8,11,13,15-16H2,1H3,(H,26,27)/b4-3-,7-6-,10-9-,14-12+/t17?,18?,19?,21? SMILES (mnx) [CH3:1][CH2:2]/[CH:3]=[CH:4]\[CH2:5]/[CH:6]=[CH:7]\[CH2:8]/[CH:9]=[CH:10]\[CH2:11][CH:18]1[CH:19](/[CH:14]=[CH:12]/[CH:17]([CH2:13][CH2:15][C:22](=[O:26])[OH:27])[OH:23])[CH:21]([OH:25])[CH2:16][C:20]1=[O:24]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 1