5,6-epoxy,18R-HEPE

Properties Image MNX_ID MNXM739726 reference biggM:CE7110 formula C20H27O4 global charge -1 mol weight 331.432 InChIKey ZPAJZAMPZXISSE-ZQMVCERVSA-M InChI InChI=1S/C20H28O4/c1-2-17(21)13-10-8-6-4-3-5-7-9-11-14-18-19(24-18)15-12-16-20(22)23/h3,5-11,13-14,17-19,21H,2,4,12,15-16H2,1H3,(H,22,23)/p-1/b5-3+,8-6-,9-7+,13-10+,14-11+ SMILES CCC(O)/C=C/C=C\C/C=C/C=C/C=C/C1OC1CCCC(=O)[O-] MNX internals InChI (mnx) InChI=1/C20H28O4/c1-2-17(21)13-10-8-6-4-3-5-7-9-11-14-18-19(24-18)15-12-16-20(22)23/h3,5-11,13-14,17-19,21H,2,4,12,15-16H2,1H3,(H,22,23)/b5-3+,8-6-,9-7+,13-10+,14-11+/t17?,18?,19? SMILES (mnx) [CH3:1][CH2:2][CH:17](/[CH:13]=[CH:10]/[CH:8]=[CH:6]\[CH2:4]/[CH:3]=[CH:5]/[CH:7]=[CH:9]/[CH:11]=[CH:14]/[CH:18]1[CH:19]([CH2:15][CH2:12][CH2:16][C:20](=[O:22])[OH:23])[O:24]1)[OH:21]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 3