1-(9Z-tetradecenoyl)-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-3-hexadecanoyl-sn-glycerol

Properties Image MNX_ID MNXM134064 reference slm:000142638 formula C53H90O6 global charge 0 mol weight 823.297 InChIKey NZJKRNNNRYFVJS-KGZUNPHGSA-N InChI InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,27,29,35,38,50H,4-6,8-9,11-14,17,20-23,26,28,30-34,36-37,39-49H2,1-3H3/b10-7-,18-15-,19-16-,25-24-,29-27-,38-35-/t50-/m1/s1 SMILES CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C53H90O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,27,29,35,38,50H,4-6,8-9,11-14,17,20-23,26,28,30-34,36-37,39-49H2,1-3H3/b10-7-,18-15-,19-16-,25-24-,29-27-,38-35-/t50-/m1/s1 SMILES (mnx) [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:24]=[CH:25]\[CH2:26]/[CH:27]=[CH:29]\[CH2:32]/[CH:35]=[CH:38]\[CH2:41][CH2:44][CH2:47][C:53](=[O:56])[O:59][C@H:50]([CH2:48][O:57][C:51]([CH2:45][CH2:42][CH2:39][CH2:36][CH2:33][CH2:30][CH2:21]/[CH:18]=[CH:15]\[CH2:12][CH2:9][CH2:6][CH3:3])=[O:54])[CH2:49][O:58][C:52]([CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:31][CH2:28][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