1-(6Z,9Z,12Z-octadecatrienoyl)-2-(13Z-docosenoyl)-3-pentadecanoyl-sn-glycerol

Properties Image MNX_ID MNXM133324 reference slm:000182006 formula C58H104O6 global charge 0 mol weight 897.464 InChIKey ZSTISJVJCWGTAZ-ONBIOLBISA-N InChI InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h17,20,25-27,31,36,39,55H,4-16,18-19,21-24,28-30,32-35,37-38,40-54H2,1-3H3/b20-17-,27-25-,31-26-,39-36-/t55-/m0/s1 SMILES CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC MNX internals InChI (mnx) InChI=1/C58H104O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-31-26-23-20-17-14-11-8-5-2/h17,20,25-27,31,36,39,55H,4-16,18-19,21-24,28-30,32-35,37-38,40-54H2,1-3H3/b20-17-,27-25-,31-26-,39-36-/t55-/m0/s1 SMILES (mnx) [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22]/[CH:25]=[CH:27]\[CH2:28][CH2:29][CH2:30][CH2:32][CH2:34][CH2:37][CH2:40][CH2:43][CH2:46][CH2:49][CH2:52][C:58](=[O:61])[O:64][C@@H:55]([CH2:53][O:62][C:56]([CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:59])[CH2:54][O:63][C:57]([CH2:51][CH2:48][CH2:45][CH2:42]/[CH:39]=[CH:36]\[CH2:33]/[CH:31]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:60]

Parent-child relations graph

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