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

Properties Image MNX_ID MNXM142268 reference slm:000209680 formula C61H104O6 global charge 0 mol weight 933.497 InChIKey XVAJMDCFUSZJIP-TUBFWVSPSA-N InChI InChI=1S/C61H104O6/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/h17-18,20-21,25-28,32-33,38,40-41,43,58H,4-16,19,22-24,29-31,34-37,39,42,44-57H2,1-3H3/b20-17-,21-18-,28-25-,32-26-,33-27-,41-38-,43-40-/t58-/m1/s1 SMILES CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC MNX internals InChI (mnx) InChI=1/C61H104O6/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/h17-18,20-21,25-28,32-33,38,40-41,43,58H,4-16,19,22-24,29-31,34-37,39,42,44-57H2,1-3H3/b20-17-,21-18-,28-25-,32-26-,33-27-,41-38-,43-40-/t58-/m1/s1 SMILES (mnx) [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22]/[CH:25]=[CH: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]/[CH:43]=[CH:40]\[CH2:37]/[CH:33]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15][CH2:12][CH2:9][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