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1,3-di-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-2-tridecanoyl-sn-glycerol

PropertiesImage
MNX_IDMNXM178136 Image of MNXM178136
referenceslm:000137252
formulaC52H84O6
global charge0
mol weight805.238
InChIKeyFBBRAQNTEPXRJU-JBHTXSBCSA-N
InChIInChI=1S/C52H84O6/c1-4-7-10-13-16-19-22-24-26-28-30-33-35-38-41-44-50(53)56-47-49(58-52(55)46-43-40-37-32-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-34-31-29-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-27,30-31,33-34,49H,4-6,9,12-15,18,21-23,28-29,32,35-48H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,27-25-,33-30-,34-31-
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OCC(COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)OC(=O)CCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C52H84O6/c1-4-7-10-13-16-19-22-24-26-28-30-33-35-38-41-44-50(53)56-47-49(58-52(55)46-43-40-37-32-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-34-31-29-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-27,30-31,33-34,49H,4-6,9,12-15,18,21-23,28-29,32,35-48H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,27-25-,33-30-,34-31- Image of MNXM178136
SMILES (mnx)[CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:24]=[CH:26]\[CH2:28]/[CH:30]=[CH:33]\[CH2:35][CH2:38][CH2:41][CH2:44][C:50](=[O:53])[O:56][CH2:47][CH:49]([CH2:48][O:57][C:51]([CH2:45][CH2:42][CH2:39][CH2:36]/[CH:34]=[CH:31]\[CH2:29]/[CH:27]=[CH:25]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:54])[O:58][C:52]([CH2:46][CH2:43][CH2:40][CH2:37][CH2:32][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:55]
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:000137252
slm:000137252
FBBRAQNTEPXRJU-JBHTXSBCSA-N
1,3-di-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-2-tridecanoyl-sn-glycerol
TG(18:4(6Z,9Z,12Z,15Z)/13:0/18:4(6Z,9Z,12Z,15Z))
Triacylglycerol (18:4(6Z,9Z,12Z,15Z)/13:0/18:4(6Z,9Z,12Z,15Z))