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1,3-di-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-2-(11-methyldodecanoyl)-sn-glycerol

PropertiesImage
MNX_IDMNXM177921 Image of MNXM177921
referenceslm:000190856
formulaC60H92O6
global charge0
mol weight909.39
InChIKeyWPQCDGBTCSVPPG-HZXNMIIISA-N
InChIInChI=1S/C60H92O6/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-43-47-51-58(61)64-54-57(66-60(63)53-49-45-41-37-38-42-46-50-56(3)4)55-65-59(62)52-48-44-40-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h7-10,13-16,19-22,25-28,31-34,39-40,43-44,56-57H,5-6,11-12,17-18,23-24,29-30,35-38,41-42,45-55H2,1-4H3/b9-7-,10-8-,15-13-,16-14-,21-19-,22-20-,27-25-,28-26-,33-31-,34-32-,43-39-,44-40-
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OCC(COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)OC(=O)CCCCCCCCCC(C)C
MNX internals
InChI (mnx)InChI=1/C60H92O6/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-43-47-51-58(61)64-54-57(66-60(63)53-49-45-41-37-38-42-46-50-56(3)4)55-65-59(62)52-48-44-40-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h7-10,13-16,19-22,25-28,31-34,39-40,43-44,56-57H,5-6,11-12,17-18,23-24,29-30,35-38,41-42,45-55H2,1-4H3/b9-7-,10-8-,15-13-,16-14-,21-19-,22-20-,27-25-,28-26-,33-31-,34-32-,43-39-,44-40- Image of MNXM177921
SMILES (mnx)[CH3:1][CH2:5]/[CH:7]=[CH:9]\[CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:19]=[CH:21]\[CH2:23]/[CH:25]=[CH:27]\[CH2:29]/[CH:31]=[CH:33]\[CH2:35]/[CH:39]=[CH:43]\[CH2:47][CH2:51][C:58](=[O:61])[O:64][CH2:54][CH:57]([CH2:55][O:65][C:59]([CH2:52][CH2:48]/[CH:44]=[CH:40]\[CH2:36]/[CH:34]=[CH:32]\[CH2:30]/[CH:28]=[CH:26]\[CH2:24]/[CH:22]=[CH:20]\[CH2:18]/[CH:16]=[CH:14]\[CH2:12]/[CH:10]=[CH:8]\[CH2:6][CH3:2])=[O:62])[O:66][C:60]([CH2:53][CH2:49][CH2:45][CH2:41][CH2:37][CH2:38][CH2:42][CH2:46][CH2:50][CH:56]([CH3:3])[CH3:4])=[O:63]
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:000190856
slm:000190856
WPQCDGBTCSVPPG-HZXNMIIISA-N
1,3-di-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-2-(11-methyldodecanoyl)-sn-glycerol
TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/13:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Triacylglycerol (22:6(4Z,7Z,10Z,13Z,16Z,19Z)/13:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))