1-(10Z,13Z,16Z-docosatrienoyl)-2-tridecanoyl-3-(9Z,12Z-hexadecadienoyl)-sn-glycerol

Properties Image MNX_ID MNXM185549 reference slm:000148698 formula C54H94O6 global charge 0 mol weight 839.34 InChIKey ZENTUIJFDFMENM-UHYLZKHRSA-N InChI InChI=1S/C54H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-33-36-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-34-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-35-32-30-23-20-17-14-11-8-5-2/h11,14,16,19-20,23-25,27-28,51H,4-10,12-13,15,17-18,21-22,26,29-50H2,1-3H3/b14-11-,19-16-,23-20-,25-24-,28-27-/t51-/m0/s1 SMILES CCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C54H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-33-36-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-34-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-35-32-30-23-20-17-14-11-8-5-2/h11,14,16,19-20,23-25,27-28,51H,4-10,12-13,15,17-18,21-22,26,29-50H2,1-3H3/b14-11-,19-16-,23-20-,25-24-,28-27-/t51-/m0/s1 SMILES (mnx) [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:24]=[CH:25]\[CH2:26]/[CH:27]=[CH:28]\[CH2:29][CH2:31][CH2:33][CH2:36][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][CH2:35][CH2:32][CH2:30]/[CH:23]=[CH:20]\[CH2:17]/[CH:14]=[CH:11]\[CH2:8][CH2:5][CH3:2])=[O:55])[O:60][C:54]([CH2:48][CH2:45][CH2:42][CH2:39][CH2:34][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:57]

Parent-child relations graph

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