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1-docosanoyl-2-(11-methyldodecanoyl)-3-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycerol

PropertiesImage
MNX_IDMNXM346040 Image of MNXM346040
referenceslm:000165360
formulaC56H102O6
global charge0
mol weight871.426
InChIKeyUXQJBNGQHFGWHO-JOFHXPSASA-N
InChIInChI=1S/C56H102O6/c1-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-36-40-44-48-55(58)61-51-53(62-56(59)49-45-41-37-33-34-38-42-46-52(3)4)50-60-54(57)47-43-39-35-31-29-27-25-20-18-16-14-12-10-8-6-2/h14,16,20,25,29,31,52-53H,5-13,15,17-19,21-24,26-28,30,32-51H2,1-4H3/b16-14-,25-20-,31-29-/t53-/m0/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C
MNX internals
InChI (mnx)InChI=1/C56H102O6/c1-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-36-40-44-48-55(58)61-51-53(62-56(59)49-45-41-37-33-34-38-42-46-52(3)4)50-60-54(57)47-43-39-35-31-29-27-25-20-18-16-14-12-10-8-6-2/h14,16,20,25,29,31,52-53H,5-13,15,17-19,21-24,26-28,30,32-51H2,1-4H3/b16-14-,25-20-,31-29-/t53-/m0/s1 Image of MNXM346040
SMILES (mnx)[CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:22][CH2:23][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:36][CH2:40][CH2:44][CH2:48][C:55](=[O:58])[O:61][CH2:51][C@H:53]([CH2:50][O:60][C:54]([CH2:47][CH2:43][CH2:39][CH2:35]/[CH:31]=[CH:29]\[CH2:27]/[CH:25]=[CH:20]\[CH2:18]/[CH:16]=[CH:14]\[CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:57])[O:62][C:56]([CH2:49][CH2:45][CH2:41][CH2:37][CH2:33][CH2:34][CH2:38][CH2:42][CH2:46][CH:52]([CH3:3])[CH3:4])=[O:59]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

SLM:000165360
slm:000165360
UXQJBNGQHFGWHO-JOFHXPSASA-N
1-docosanoyl-2-(11-methyldodecanoyl)-3-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycerol
TG(22:0/13:0/18:3(6Z,9Z,12Z))
Triacylglycerol (22:0/13:0/18:3(6Z,9Z,12Z))