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

Properties Image MNX_ID MNXM32598 reference metacycM:CPD-8420 formula C53H94O15 global charge 0 mol weight 971.32 InChIKey JRVGRZKNPYWDJL-FSZVMMKHSA-N InChI InChI=1S/C53H94O15/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/h12,14,17-19,21,41-43,46-54,57-62H,3-11,13,15-16,20,22-40H2,1-2H3/b14-12-,19-17-,21-18- SMILES CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O MNX internals InChI (mnx) InChI=1/C53H94O15/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/h12,14,17-19,21,41-43,46-54,57-62H,3-11,13,15-16,20,22-40H2,1-2H3/b14-12-,19-17-,21-18-/t41?,42?,43?,46?,47?,48?,49?,50?,51?,52?,53? SMILES (mnx) [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][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][CH:41]([CH2:39][O:64][CH:52]1[CH:51]([OH:62])[CH:49]([OH:60])[CH:47]([OH:58])[CH:43]([CH2:40][O:65][CH:53]2[CH:50]([OH:61])[CH:48]([OH:59])[CH:46]([OH:57])[CH: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][CH2:8][CH2:6][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