1-tridecanoyl-2-(8Z,11Z,14Z-eicosatrienoyl)-3-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol

Properties Image MNX_ID MNXM110274 reference slm:000174910 formula C58H94O6 global charge 0 mol weight 887.384 InChIKey MQJSRJLYYUXOOK-XSUKWBRQSA-N InChI InChI=1S/C58H94O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-35-33-30-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,29,31,33-36,42,45,55H,4-6,8-9,11-15,18,21-23,28,30,32,37-41,43-44,46-54H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,31-29-,35-33-,36-34-,45-42-/t55-/m1/s1 SMILES CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC MNX internals InChI (mnx) InChI=1/C58H94O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-35-33-30-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,29,31,33-36,42,45,55H,4-6,8-9,11-15,18,21-23,28,30,32,37-41,43-44,46-54H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,31-29-,35-33-,36-34-,45-42-/t55-/m1/s1 SMILES (mnx) [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:24]=[CH:26]\[CH2:28]/[CH:29]=[CH:31]\[CH2:32]/[CH:34]=[CH:36]\[CH2:39]/[CH:42]=[CH:45]\[CH2:48][CH2:51][C:57](=[O:60])[O:63][CH2:54][C@@H:55]([CH2:53][O:62][C:56]([CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:59])[O:64][C:58]([CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:37]/[CH:35]=[CH:33]\[CH2:30]/[CH:27]=[CH:25]\[CH2:23]/[CH:20]=[CH: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