1,2-dioctanoyl-3-O-[alpha-D-galactosyl-(1->6)-beta-D-galactosyl]-sn-glycerol

Properties Image MNX_ID MNXM162612 reference chebi:90457 formula C31H56O15 global charge 0 mol weight 668.774 InChIKey VJRNLEJCPYFBMF-RXODWZMSSA-N InChI InChI=1S/C31H56O15/c1-3-5-7-9-11-13-22(33)41-16-19(44-23(34)14-12-10-8-6-4-2)17-42-30-29(40)27(38)25(36)21(46-30)18-43-31-28(39)26(37)24(35)20(15-32)45-31/h19-21,24-32,35-40H,3-18H2,1-2H3/t19-,20-,21-,24+,25+,26+,27+,28-,29-,30-,31+/m1/s1 SMILES CCCCCCCC(=O)OC[C@H](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)OC(=O)CCCCCCC MNX internals InChI (mnx) InChI=1/C31H56O15/c1-3-5-7-9-11-13-22(33)41-16-19(44-23(34)14-12-10-8-6-4-2)17-42-30-29(40)27(38)25(36)21(46-30)18-43-31-28(39)26(37)24(35)20(15-32)45-31/h19-21,24-32,35-40H,3-18H2,1-2H3/t19-,20-,21-,24+,25+,26+,27+,28-,29-,30-,31+/m1/s1 SMILES (mnx) [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][C:22](=[O:33])[O:41][CH2:16][C@H:19]([CH2:17][O:42][C@H:30]1[C@H:29]([OH:40])[C@@H:27]([OH:38])[C@@H:25]([OH:36])[C@@H:21]([CH2:18][O:43][C@@H:31]2[C@H:28]([OH:39])[C@@H:26]([OH:37])[C@@H:24]([OH:35])[C@@H:20]([CH2:15][OH:32])[O:45]2)[O:46]1)[O:44][C:23]([CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:34]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 1