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1,3-di-(8Z,11Z,14Z-eicosatrienoyl)-2-(11-methyldodecanoyl)-sn-glycerol

PropertiesImage
MNX_IDMNXM178333 Image of MNXM178333
referenceslm:000161775
formulaC56H96O6
global charge0
mol weight865.378
InChIKeyFBGVYPJMNRXJKP-UEADRGIISA-N
InChIInChI=1S/C56H96O6/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-39-43-47-54(57)60-50-53(62-56(59)49-45-41-37-33-34-38-42-46-52(3)4)51-61-55(58)48-44-40-36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h13-16,19-22,25-28,52-53H,5-12,17-18,23-24,29-51H2,1-4H3/b15-13-,16-14-,21-19-,22-20-,27-25-,28-26-
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OCC(COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCC(C)C
MNX internals
InChI (mnx)InChI=1/C56H96O6/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-39-43-47-54(57)60-50-53(62-56(59)49-45-41-37-33-34-38-42-46-52(3)4)51-61-55(58)48-44-40-36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h13-16,19-22,25-28,52-53H,5-12,17-18,23-24,29-51H2,1-4H3/b15-13-,16-14-,21-19-,22-20-,27-25-,28-26- Image of MNXM178333
SMILES (mnx)[CH3:1][CH2:5][CH2:7][CH2:9][CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:19]=[CH:21]\[CH2:23]/[CH:25]=[CH:27]\[CH2:29][CH2:31][CH2:35][CH2:39][CH2:43][CH2:47][C:54](=[O:57])[O:60][CH2:50][CH:53]([CH2:51][O:61][C:55]([CH2:48][CH2:44][CH2:40][CH2:36][CH2:32][CH2:30]/[CH:28]=[CH:26]\[CH2:24]/[CH:22]=[CH:20]\[CH2:18]/[CH:16]=[CH:14]\[CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:58])[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:000161775
slm:000161775
FBGVYPJMNRXJKP-UEADRGIISA-N
1,3-di-(8Z,11Z,14Z-eicosatrienoyl)-2-(11-methyldodecanoyl)-sn-glycerol
TG(20:3(8Z,11Z,14Z)/13:0/20:3(8Z,11Z,14Z))
Triacylglycerol (20:3(8Z,11Z,14Z)/13:0/20:3(8Z,11Z,14Z))