1-dodecanoyl-2-(9Z-tetradecenoyl)-3-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycerol

Properties Image MNX_ID MNXM109357 reference slm:000130534 formula C49H86O6 global charge 0 mol weight 771.221 InChIKey LENVACHQWLUOPL-VVFXJHAUSA-N InChI InChI=1S/C49H86O6/c1-4-7-10-13-16-19-21-22-23-24-25-26-28-30-33-36-39-42-48(51)54-45-46(44-53-47(50)41-38-35-32-29-18-15-12-9-6-3)55-49(52)43-40-37-34-31-27-20-17-14-11-8-5-2/h14,16-17,19,22-23,25-26,46H,4-13,15,18,20-21,24,27-45H2,1-3H3/b17-14-,19-16-,23-22-,26-25-/t46-/m1/s1 SMILES CCCC/C=C\CCCCCCCC(=O)O[C@@H](COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C49H86O6/c1-4-7-10-13-16-19-21-22-23-24-25-26-28-30-33-36-39-42-48(51)54-45-46(44-53-47(50)41-38-35-32-29-18-15-12-9-6-3)55-49(52)43-40-37-34-31-27-20-17-14-11-8-5-2/h14,16-17,19,22-23,25-26,46H,4-13,15,18,20-21,24,27-45H2,1-3H3/b17-14-,19-16-,23-22-,26-25-/t46-/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]\[CH2:28][CH2:30][CH2:33][CH2:36][CH2:39][CH2:42][C:48](=[O:51])[O:54][CH2:45][C@@H:46]([CH2:44][O:53][C:47]([CH2:41][CH2:38][CH2:35][CH2:32][CH2:29][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:50])[O:55][C:49]([CH2:43][CH2:40][CH2:37][CH2:34][CH2:31][CH2:27][CH2:20]/[CH:17]=[CH:14]\[CH2:11][CH2:8][CH2:5][CH3:2])=[O:52]

Parent-child relations graph

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