1-dodecanoyl-2-(9Z,12Z,15Z-octadecatrienoyl)-3-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycerol

Properties Image MNX_ID MNXM109646 reference slm:000153314 formula C55H92O6 global charge 0 mol weight 849.335 InChIKey KXDWMHBAVSUOJH-VVBIZEDCSA-N InChI InChI=1S/C55H92O6/c1-4-7-10-13-16-19-21-23-25-26-27-28-30-31-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-32-29-24-22-20-17-14-11-8-5-2/h8,11,16-17,19-20,23-25,27-29,31,33,52H,4-7,9-10,12-15,18,21-22,26,30,32,34-51H2,1-3H3/b11-8-,19-16-,20-17-,25-23-,28-27-,29-24-,33-31-/t52-/m1/s1 SMILES CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@@H](COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C55H92O6/c1-4-7-10-13-16-19-21-23-25-26-27-28-30-31-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-32-29-24-22-20-17-14-11-8-5-2/h8,11,16-17,19-20,23-25,27-29,31,33,52H,4-7,9-10,12-15,18,21-22,26,30,32,34-51H2,1-3H3/b11-8-,19-16-,20-17-,25-23-,28-27-,29-24-,33-31-/t52-/m1/s1 SMILES (mnx) [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:21]/[CH:23]=[CH:25]\[CH2:26]/[CH:27]=[CH:28]\[CH2:30]/[CH:31]=[CH:33]\[CH2:36][CH2:39][CH2:42][CH2:45][CH2:48][C:54](=[O:57])[O:60][CH2:51][C@@H:52]([CH2:50][O:59][C:53]([CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:56])[O:61][C:55]([CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:32]/[CH:29]=[CH:24]\[CH2:22]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:58]

Parent-child relations graph

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