1-(9Z,12Z-octadecadienoyl)-2-(7Z,10Z,13Z-hexadecatrienoyl)-3-beta-D-galactosyl-sn-glycerol

Properties Image MNX_ID MNXM7976 reference slm:000500534 formula C43H72O10 global charge 0 mol weight 749.039 InChIKey DVRKGRMGQJLNPC-NIDYUPDJSA-N InChI InChI=1S/C43H72O10/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(45)50-34-36(35-51-43-42(49)41(48)40(47)37(33-44)53-43)52-39(46)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,22,36-37,40-44,47-49H,3-5,7,9-10,15-16,20-21,23-35H2,1-2H3/b8-6-,13-11-,14-12-,18-17-,22-19-/t36-,37-,40+,41+,42-,43-/m1/s1 SMILES CC/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O MNX internals InChI (mnx) InChI=1/C43H72O10/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(45)50-34-36(35-51-43-42(49)41(48)40(47)37(33-44)53-43)52-39(46)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,22,36-37,40-44,47-49H,3-5,7,9-10,15-16,20-21,23-35H2,1-2H3/b8-6-,13-11-,14-12-,18-17-,22-19-/t36-,37-,40+,41+,42-,43-/m1/s1 SMILES (mnx) [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:18]\[CH2:20][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][C:38](=[O:45])[O:50][CH2:34][C@H:36]([CH2:35][O:51][C@H:43]1[C@H:42]([OH:49])[C@@H:41]([OH:48])[C@@H:40]([OH:47])[C@@H:37]([CH2:33][OH:44])[O:53]1)[O:52][C:39]([CH2:32][CH2:30][CH2:28][CH2:26][CH2:24]/[CH:22]=[CH:19]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:46]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 15 in models (compartimentalized) 0