1-tetradecanoyl-2-nonadecanoyl-3-(10Z,13Z,16Z-docosatrienoyl)-sn-glycerol

Properties Image MNX_ID MNXM110701 reference slm:000183580 formula C58H106O6 global charge 0 mol weight 899.48 InChIKey UNTAIPITFKPNNH-QMGDXQHZSA-N InChI InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,29-30,55H,4-15,17-18,20-23,25,27-28,31-54H2,1-3H3/b19-16-,26-24-,30-29-/t55-/m1/s1 SMILES CCCCC/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C58H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,29-30,55H,4-15,17-18,20-23,25,27-28,31-54H2,1-3H3/b19-16-,26-24-,30-29-/t55-/m1/s1 SMILES (mnx) [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:24]=[CH:26]\[CH2:28]/[CH:29]=[CH:30]\[CH2:32][CH2:33][CH2:36][CH2:39][CH2:42][CH2:45][CH2:48][CH2:51][C:57](=[O:60])[O:63][CH2:54][C@@H:55]([CH2:53][O:62][C:56]([CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:59])[O:64][C:58]([CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:31][CH2:27][CH2:25][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:61]

Parent-child relations graph

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