1-(8Z,11Z,14Z-eicosatrienoyl)-2-(9Z,12Z,15Z-octadecatrienoyl)-3-beta-D-galactosyl-sn-glycerol

Properties Image MNX_ID MNXM32619 reference slm:000500568 formula C47H78O10 global charge 0 mol weight 803.131 InChIKey BSJYVSJVSCNAMN-MKYLUZAQSA-N InChI InChI=1S/C47H78O10/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(49)54-38-40(39-55-47-46(53)45(52)44(51)41(37-48)57-47)56-43(50)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21,40-41,44-48,51-53H,3-4,9-10,15-16,20,22-39H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,21-18-/t40-,41-,44+,45+,46-,47-/m1/s1 SMILES CC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC MNX internals InChI (mnx) InChI=1/C47H78O10/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(49)54-38-40(39-55-47-46(53)45(52)44(51)41(37-48)57-47)56-43(50)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21,40-41,44-48,51-53H,3-4,9-10,15-16,20,22-39H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,21-18-/t40-,41-,44+,45+,46-,47-/m1/s1 SMILES (mnx) [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:20][CH2:22][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][C:42](=[O:49])[O:54][CH2:38][C@H:40]([CH2:39][O:55][C@H:47]1[C@H:46]([OH:53])[C@@H:45]([OH:52])[C@@H:44]([OH:51])[C@@H:41]([CH2:37][OH:48])[O:57]1)[O:56][C:43]([CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24]/[CH:21]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:50]

Parent-child relations graph

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