14-O-(beta-D-glucopyranosyl)-7S,14R-dihydroxy-7,9,13,17-tetramethyl-2E,4E,8E,10E,12E,16E-octadecahexaenoic acid

Properties Image MNX_ID MNXM100465 reference lipidmapsM:LMFA13010034 formula C28H42O9 global charge 0 mol weight 522.635 InChIKey HTGFZKQPJXUSTN-HPLOYSALSA-N InChI InChI=1S/C28H42O9/c1-18(2)13-14-21(36-27-26(34)25(33)24(32)22(17-29)37-27)20(4)11-9-10-19(3)16-28(5,35)15-8-6-7-12-23(30)31/h6-13,16,21-22,24-27,29,32-35H,14-15,17H2,1-5H3,(H,30,31)/b8-6+,10-9+,12-7+,19-16+,20-11+/t21-,22-,24-,25+,26-,27-,28+/m1/s1 SMILES CC(C)=CC[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)/C(C)=C/C=C/C(C)=C/[C@@](C)(O)C/C=C/C=C/C(=O)O MNX internals InChI (mnx) InChI=1/C28H42O9/c1-18(2)13-14-21(36-27-26(34)25(33)24(32)22(17-29)37-27)20(4)11-9-10-19(3)16-28(5,35)15-8-6-7-12-23(30)31/h6-13,16,21-22,24-27,29,32-35H,14-15,17H2,1-5H3,(H,30,31)/b8-6+,10-9+,12-7+,19-16+,20-11+/t21-,22-,24-,25+,26-,27-,28+/m1/s1 SMILES (mnx) [CH3:1][C:18]([CH3:2])=[CH:13][CH2:14][C@H:21](/[C:20]([CH3:4])=[CH:11]/[CH:9]=[CH:10]/[C:19]([CH3:3])=[CH:16]/[C@:28]([CH3:5])([CH2:15]/[CH:8]=[CH:6]/[CH:7]=[CH:12]/[C:23](=[O:30])[OH:31])[OH:35])[O:36][C@H:27]1[C@H:26]([OH:34])[C@@H:25]([OH:33])[C@H:24]([OH:32])[C@@H:22]([CH2:17][OH:29])[O:37]1

Parent-child relations graph

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