1-(9Z,12Z,15Z-octadecatrienoyl)-2-pentadecanoyl-3-(9Z,12Z-octadecadienoyl)-sn-glycerol

Properties Image MNX_ID MNXM136995 reference slm:000148462 formula C54H94O6 global charge 0 mol weight 839.34 InChIKey VMBVTDJYPGSHJZ-HGHNBNCWSA-N InChI InChI=1S/C54H94O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-52(55)58-49-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,51H,4-6,8-9,11-15,18,21-24,29-50H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-/t51-/m1/s1 SMILES CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C54H94O6/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-52(55)58-49-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,51H,4-6,8-9,11-15,18,21-24,29-50H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-/t51-/m1/s1 SMILES (mnx) [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:27]\[CH2:29][CH2:32][CH2:34][CH2:37][CH2:40][CH2:43][CH2:46][C:52](=[O:55])[O:58][CH2:49][C@H:51]([CH2:50][O:59][C:53]([CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:33][CH2:30]/[CH:28]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:56])[O:60][C:54]([CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:31][CH2:24][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