1-tridecanoyl-2-heptadecanoyl-3-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycerol

Properties Image MNX_ID MNXM110012 reference slm:000136208 formula C51H92O6 global charge 0 mol weight 801.291 InChIKey KAEPXNLYZDRZMB-JCEPAQEVSA-N InChI InChI=1S/C51H92O6/c1-4-7-10-13-16-19-22-24-26-28-29-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-31-21-18-15-12-9-6-3)57-51(54)45-42-39-36-33-30-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,48H,4-6,8-9,11-15,17-18,20-23,25,27-47H2,1-3H3/b10-7-,19-16-,26-24-/t48-/m1/s1 SMILES CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C51H92O6/c1-4-7-10-13-16-19-22-24-26-28-29-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-31-21-18-15-12-9-6-3)57-51(54)45-42-39-36-33-30-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,48H,4-6,8-9,11-15,17-18,20-23,25,27-47H2,1-3H3/b10-7-,19-16-,26-24-/t48-/m1/s1 SMILES (mnx) [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:24]=[CH:26]\[CH2:28][CH2:29][CH2:32][CH2:35][CH2:38][CH2:41][CH2:44][C:50](=[O:53])[O:56][CH2:47][C@@H:48]([CH2:46][O:55][C:49]([CH2:43][CH2:40][CH2:37][CH2:34][CH2:31][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:52])[O:57][C:51]([CH2:45][CH2:42][CH2:39][CH2:36][CH2:33][CH2:30][CH2:27][CH2:25][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:54]

Parent-child relations graph

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