1-(9Z,12Z,15Z-octadecatrienoyl)-2-eicosanoyl-3-tetradecanoyl-sn-glycerol

Properties Image MNX_ID MNXM131502 reference slm:000157651 formula C55H100O6 global charge 0 mol weight 857.399 InChIKey LIMGVWSRPUIYTD-JHHRBSFXSA-N InChI InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,28,52H,4-7,9-10,12-16,18-19,21-24,26-27,29-51H2,1-3H3/b11-8-,20-17-,28-25-/t52-/m0/s1 SMILES CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C55H100O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,28,52H,4-7,9-10,12-16,18-19,21-24,26-27,29-51H2,1-3H3/b11-8-,20-17-,28-25-/t52-/m0/s1 SMILES (mnx) [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:24][CH2:26][CH2:27][CH2:29][CH2:31][CH2:34][CH2:37][CH2:40][CH2:43][CH2:46][CH2:49][C:55](=[O:58])[O:61][C@@H:52]([CH2:50][O:59][C:53]([CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:32][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:56])[CH2:51][O:60][C:54]([CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:33][CH2:30]/[CH:28]=[CH:25]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:57]

Parent-child relations graph

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