1,2-didodecanoyl-3-(10Z,13Z,16Z-docosatrienoyl)-sn-glycerol

Properties Image MNX_ID MNXM109271 reference slm:000130806 formula C49H88O6 global charge 0 mol weight 773.237 InChIKey BEPUMTHCZRRVQV-DDHYZRCISA-N InChI InChI=1S/C49H88O6/c1-4-7-10-13-16-19-20-21-22-23-24-25-26-27-28-31-33-36-39-42-48(51)54-45-46(55-49(52)43-40-37-34-30-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-17-14-11-8-5-2/h16,19,21-22,24-25,46H,4-15,17-18,20,23,26-45H2,1-3H3/b19-16-,22-21-,25-24-/t46-/m1/s1 SMILES CCCCC/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C49H88O6/c1-4-7-10-13-16-19-20-21-22-23-24-25-26-27-28-31-33-36-39-42-48(51)54-45-46(55-49(52)43-40-37-34-30-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-17-14-11-8-5-2/h16,19,21-22,24-25,46H,4-15,17-18,20,23,26-45H2,1-3H3/b19-16-,22-21-,25-24-/t46-/m1/s1 SMILES (mnx) [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23]/[CH:24]=[CH:25]\[CH2:26][CH2:27][CH2:28][CH2:31][CH2:33][CH2:36][CH2:39][CH2:42][C:48](=[O:51])[O:54][CH2:45][C@@H:46]([CH2:44][O:53][C:47]([CH2:41][CH2:38][CH2:35][CH2:32][CH2:29][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:50])[O:55][C:49]([CH2:43][CH2:40][CH2:37][CH2:34][CH2:30][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:52]

Parent-child relations graph

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