1-dodecanoyl-2-tridecanoyl-3-(10Z,13Z,16Z-docosatrienoyl)-sn-glycerol

Properties Image MNX_ID MNXM109303 reference slm:000133147 formula C50H90O6 global charge 0 mol weight 787.264 InChIKey FCKUBCPFZUFWQO-VBRBCFJVSA-N InChI InChI=1S/C50H90O6/c1-4-7-10-13-16-19-21-22-23-24-25-26-27-28-29-32-34-37-40-43-49(52)55-46-47(45-54-48(51)42-39-36-33-30-18-15-12-9-6-3)56-50(53)44-41-38-35-31-20-17-14-11-8-5-2/h16,19,22-23,25-26,47H,4-15,17-18,20-21,24,27-46H2,1-3H3/b19-16-,23-22-,26-25-/t47-/m1/s1 SMILES CCCCC/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C50H90O6/c1-4-7-10-13-16-19-21-22-23-24-25-26-27-28-29-32-34-37-40-43-49(52)55-46-47(45-54-48(51)42-39-36-33-30-18-15-12-9-6-3)56-50(53)44-41-38-35-31-20-17-14-11-8-5-2/h16,19,22-23,25-26,47H,4-15,17-18,20-21,24,27-46H2,1-3H3/b19-16-,23-22-,26-25-/t47-/m1/s1 SMILES (mnx) [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:21]/[CH:22]=[CH:23]\[CH2:24]/[CH:25]=[CH:26]\[CH2:27][CH2:28][CH2:29][CH2:32][CH2:34][CH2:37][CH2:40][CH2:43][C:49](=[O:52])[O:55][CH2:46][C@@H:47]([CH2:45][O:54][C:48]([CH2:42][CH2:39][CH2:36][CH2:33][CH2:30][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:51])[O:56][C:50]([CH2:44][CH2:41][CH2:38][CH2:35][CH2:31][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:53]

Parent-child relations graph

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