1-(9Z-tetradecenoyl)-2-pentadecanoyl-3-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycerol

Properties Image MNX_ID MNXM110873 reference slm:000139386 formula C52H92O6 global charge 0 mol weight 813.302 InChIKey RMQIYDKFRLNHBL-GDFQCWDFSA-N InChI InChI=1S/C52H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-30-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,27-28,49H,4-14,17,20-23,26,29-48H2,1-3H3/b18-15-,19-16-,25-24-,28-27-/t49-/m1/s1 SMILES CCCC/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C52H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-30-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,27-28,49H,4-14,17,20-23,26,29-48H2,1-3H3/b18-15-,19-16-,25-24-,28-27-/t49-/m1/s1 SMILES (mnx) [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:24]=[CH:25]\[CH2:26]/[CH:27]=[CH:28]\[CH2:31][CH2:33][CH2:36][CH2:39][CH2:42][CH2:45][C:51](=[O:54])[O:57][CH2:48][C@@H:49]([CH2:47][O:56][C:50]([CH2:44][CH2:41][CH2:38][CH2:35][CH2:32][CH2:29][CH2:21]/[CH:18]=[CH:15]\[CH2:12][CH2:9][CH2:6][CH3:3])=[O:53])[O:58][C:52]([CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:30][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:55]

Parent-child relations graph

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