4(5)-epoxy-17S-hydroxy-docosahexaenoate

Properties Image MNX_ID MNXM114395 reference metacycM:CPD66-78 formula C22H29O4 global charge -1 mol weight 357.47 InChIKey JQSJFHDWAHTRSL-JXXQTRHPSA-M InChI InChI=1S/C22H30O4/c1-2-3-11-14-19(23)15-12-9-7-5-4-6-8-10-13-16-20-21(26-20)17-18-22(24)25/h3-4,6-13,15-16,19-21,23H,2,5,14,17-18H2,1H3,(H,24,25)/p-1/b6-4-,9-7-,10-8+,11-3-,15-12+,16-13+/t19-,20?,21?/m0/s1 SMILES CC/C=C\C[C@H](O)/C=C/C=C\C/C=C\C=C\C=C\C1OC1CCC(=O)[O-] MNX internals InChI (mnx) InChI=1/C22H30O4/c1-2-3-11-14-19(23)15-12-9-7-5-4-6-8-10-13-16-20-21(26-20)17-18-22(24)25/h3-4,6-13,15-16,19-21,23H,2,5,14,17-18H2,1H3,(H,24,25)/b6-4-,9-7-,10-8+,11-3-,15-12+,16-13+/t19-,20?,21?/m0/s1 SMILES (mnx) [CH3:1][CH2:2]/[CH:3]=[CH:11]\[CH2:14][C@@H:19](/[CH:15]=[CH:12]/[CH:9]=[CH:7]\[CH2:5]/[CH:4]=[CH:6]\[CH:8]=[CH:10]\[CH:13]=[CH:16]\[CH:20]1[CH:21]([CH2:17][CH2:18][C:22](=[O:24])[OH:25])[O:26]1)[OH:23]

Parent-child relations graph

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