1-octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-3-hexadecanoyl-sn-glycerol

Properties Image MNX_ID MNXM134263 reference slm:000189829 formula C59H102O6 global charge 0 mol weight 907.459 InChIKey VDHPZVDJLBXBJP-WWOFMMDBSA-N InChI InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,29-30,35,38,44,47,56H,4-6,8-9,11-15,17-18,20-24,26,28,31-34,36-37,39-43,45-46,48-55H2,1-3H3/b10-7-,19-16-,27-25-,30-29-,38-35-,47-44-/t56-/m0/s1 SMILES CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,29-30,35,38,44,47,56H,4-6,8-9,11-15,17-18,20-24,26,28,31-34,36-37,39-43,45-46,48-55H2,1-3H3/b10-7-,19-16-,27-25-,30-29-,38-35-,47-44-/t56-/m0/s1 SMILES (mnx) [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:27]\[CH2:28]/[CH:29]=[CH:30]\[CH2:32]/[CH:35]=[CH:38]\[CH2:41]/[CH:44]=[CH:47]\[CH2:50][CH2:53][C:59](=[O:62])[O:65][C@@H:56]([CH2:54][O:63][C:57]([CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:33][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:60])[CH2:55][O:64][C:58]([CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:31][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:61]

Parent-child relations graph

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