1-(6Z,9Z,12Z-octadecatrienoyl)-2-(9Z,12Z,15Z-octadecatrienoyl)-3-docosanoyl-sn-glycerol

Properties Image MNX_ID MNXM112862 reference slm:000211432 formula C61H106O6 global charge 0 mol weight 935.513 InChIKey WPIRBQFGMSEFAB-CNTMNHMSSA-N InChI InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,32-33,38,41,58H,4-8,10-11,13-16,19,22-25,28-31,34-37,39-40,42-57H2,1-3H3/b12-9-,20-17-,21-18-,32-26-,33-27-,41-38-/t58-/m1/s1 SMILES CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,32-33,38,41,58H,4-8,10-11,13-16,19,22-25,28-31,34-37,39-40,42-57H2,1-3H3/b12-9-,20-17-,21-18-,32-26-,33-27-,41-38-/t58-/m1/s1 SMILES (mnx) [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:25][CH2:28][CH2:29][CH2:30][CH2:31][CH2:34][CH2:36][CH2:39][CH2:42][CH2:45][CH2:48][CH2:51][CH2:54][C:60](=[O:63])[O:66][CH2:57][C@@H:58]([CH2:56][O:65][C:59]([CH2:53][CH2:50][CH2:47][CH2:44]/[CH:41]=[CH:38]\[CH2:35]/[CH:32]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:62])[O:67][C:61]([CH2:55][CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:37]/[CH:33]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15]/[CH:12]=[CH:9]\[CH2:6][CH3:3])=[O:64]

Parent-child relations graph

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