1-O-octadecyl-2-(11Z-octadecenoyl)-3-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycerol

Properties Image MNX_ID MNXM140521 reference slm:000182560 formula C59H108O5 global charge 0 mol weight 897.508 InChIKey XPYOPOHMIVEQCS-QGVNVODCSA-N InChI InChI=1S/C59H108O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h16,19,21,24-25,28,32,34,57H,4-15,17-18,20,22-23,26-27,29-31,33,35-56H2,1-3H3/b19-16-,24-21-,28-25-,34-32-/t57-/m1/s1 SMILES CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@@H](COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC/C=C\CCCCCC MNX internals InChI (mnx) InChI=1/C59H108O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h16,19,21,24-25,28,32,34,57H,4-15,17-18,20,22-23,26-27,29-31,33,35-56H2,1-3H3/b19-16-,24-21-,28-25-,34-32-/t57-/m1/s1 SMILES (mnx) [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:30]/[CH:32]=[CH:34]\[CH2:37][CH2:40][CH2:43][CH2:46][CH2:49][CH2:52][C:58](=[O:60])[O:63][CH2:56][C@@H:57]([CH2:55][O:62][CH2:54][CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:33][CH2:29][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])[O:64][C:59]([CH2:53][CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:31][CH2:27]/[CH:24]=[CH:21]\[CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:61]

Parent-child relations graph

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