1-20:2-2-18:3-digalactosyldiacylglycerol

Properties Image MNX_ID MNXM32613 reference metacycM:CPD-8424 formula C53H90O15 global charge 0 mol weight 967.288 InChIKey XDZWXEXAMRUDOI-JISONETDSA-N InChI InChI=1S/C53H90O15/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-44(55)63-38-41(66-45(56)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)39-64-52-51(62)49(60)47(58)43(68-52)40-65-53-50(61)48(59)46(57)42(37-54)67-53/h6,8,11-14,17-19,21,41-43,46-54,57-62H,3-5,7,9-10,15-16,20,22-40H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,21-18-/t41-,42-,43-,46+,47+,48+,49+,50-,51-,52-,53+/m1/s1 SMILES CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O MNX internals InChI (mnx) InChI=1/C53H90O15/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-44(55)63-38-41(66-45(56)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)39-64-52-51(62)49(60)47(58)43(68-52)40-65-53-50(61)48(59)46(57)42(37-54)67-53/h6,8,11-14,17-19,21,41-43,46-54,57-62H,3-5,7,9-10,15-16,20,22-40H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,21-18-/t41-,42-,43-,46+,47+,48+,49+,50-,51-,52-,53+/m1/s1 SMILES (mnx) [CH3:1][CH2:3][CH2:5][CH2:7][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:44](=[O:55])[O:63][CH2:38][C@H:41]([CH2:39][O:64][C@H:52]1[C@H:51]([OH:62])[C@@H:49]([OH:60])[C@@H:47]([OH:58])[C@@H:43]([CH2:40][O:65][C@@H:53]2[C@H:50]([OH:61])[C@@H:48]([OH:59])[C@@H:46]([OH:57])[C@@H:42]([CH2:37][OH:54])[O:67]2)[O:68]1)[O:66][C:45]([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:56]

Parent-child relations graph

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