1-(9Z-tetradecenoyl)-2-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-3-nonadecanoyl-sn-glycerol

Properties Image MNX_ID MNXM111138 reference slm:000148681 formula C54H94O6 global charge 0 mol weight 839.34 InChIKey OJQOQQTYZNUQEO-VLTOWSMBSA-N InChI InChI=1S/C54H94O6/c1-4-7-10-13-16-19-22-24-26-28-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,27,33,36,51H,4-7,9-10,12-14,16,19,21-24,26,28-32,34-35,37-50H2,1-3H3/b11-8-,18-15-,20-17-,27-25-,36-33-/t51-/m1/s1 SMILES CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C54H94O6/c1-4-7-10-13-16-19-22-24-26-28-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,27,33,36,51H,4-7,9-10,12-14,16,19,21-24,26,28-32,34-35,37-50H2,1-3H3/b11-8-,18-15-,20-17-,27-25-,36-33-/t51-/m1/s1 SMILES (mnx) [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:24][CH2:26][CH2:28][CH2:29][CH2:32][CH2:35][CH2:38][CH2:41][CH2:44][CH2:47][C:53](=[O:56])[O:59][CH2:50][C@@H:51]([CH2:49][O:58][C:52]([CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:31][CH2:21]/[CH:18]=[CH:15]\[CH2:12][CH2:9][CH2:6][CH3:3])=[O:55])[O:60][C:54]([CH2:48][CH2:45][CH2:42][CH2:39]/[CH:36]=[CH:33]\[CH2:30]/[CH:27]=[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