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1,3-di-(11-methyldodecanoyl)-2-(6Z,9Z,12Z,15Z,18Z,21Z-tetracosahexaenoyl)-sn-glycerol

PropertiesImage
MNX_IDMNXM177490 Image of MNXM177490
referenceslm:000142985
formulaC53H90O6
global charge0
mol weight823.297
InChIKeyRMLLKILYDPLFKG-XTJKPUCJSA-N
InChIInChI=1S/C53H90O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28-35-40-45-53(56)59-50(46-57-51(54)43-38-33-29-24-26-31-36-41-48(2)3)47-58-52(55)44-39-34-30-25-27-32-37-42-49(4)5/h7-8,10-11,13-14,16-17,19-20,22-23,48-50H,6,9,12,15,18,21,24-47H2,1-5H3/b8-7-,11-10-,14-13-,17-16-,20-19-,23-22-
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC(COC(=O)CCCCCCCCCC(C)C)COC(=O)CCCCCCCCCC(C)C
MNX internals
InChI (mnx)InChI=1/C53H90O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28-35-40-45-53(56)59-50(46-57-51(54)43-38-33-29-24-26-31-36-41-48(2)3)47-58-52(55)44-39-34-30-25-27-32-37-42-49(4)5/h7-8,10-11,13-14,16-17,19-20,22-23,48-50H,6,9,12,15,18,21,24-47H2,1-5H3/b8-7-,11-10-,14-13-,17-16-,20-19-,23-22- Image of MNXM177490
SMILES (mnx)[CH3:1][CH2:6]/[CH:7]=[CH:8]\[CH2:9]/[CH:10]=[CH:11]\[CH2:12]/[CH:13]=[CH:14]\[CH2:15]/[CH:16]=[CH:17]\[CH2:18]/[CH:19]=[CH:20]\[CH2:21]/[CH:22]=[CH:23]\[CH2:28][CH2:35][CH2:40][CH2:45][C:53](=[O:56])[O:59][CH:50]([CH2:46][O:57][C:51]([CH2:43][CH2:38][CH2:33][CH2:29][CH2:24][CH2:26][CH2:31][CH2:36][CH2:41][CH:48]([CH3:2])[CH3:3])=[O:54])[CH2:47][O:58][C:52]([CH2:44][CH2:39][CH2:34][CH2:30][CH2:25][CH2:27][CH2:32][CH2:37][CH2:42][CH:49]([CH3:4])[CH3:5])=[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:000142985
slm:000142985
RMLLKILYDPLFKG-XTJKPUCJSA-N
1,3-di-(11-methyldodecanoyl)-2-(6Z,9Z,12Z,15Z,18Z,21Z-tetracosahexaenoyl)-sn-glycerol
TG(13:0/24:6(6Z,9Z,12Z,15Z,18Z,21Z)/13:0)
Triacylglycerol (13:0/24:6(6Z,9Z,12Z,15Z,18Z,21Z)/13:0)