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1-(11Z-eicosenoyl)-2-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-3-(11Z-octadecenoyl)-sn-glycerol

PropertiesImage
MNX_IDMNXM136005 Image of MNXM136005
referenceslm:000190485
formulaC59H102O6
global charge0
mol weight907.459
InChIKeyKGXLFILNVZRKPC-WCBKNSSZSA-N
InChIInChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,25,27-28,31,38,41,56H,4-8,10-11,13-17,19,22,24,26,29-30,32-37,39-40,42-55H2,1-3H3/b12-9-,21-18-,23-20-,28-25-,31-27-,41-38-/t56-/m0/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC
MNX internals
InChI (mnx)InChI=1/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,25,27-28,31,38,41,56H,4-8,10-11,13-17,19,22,24,26,29-30,32-37,39-40,42-55H2,1-3H3/b12-9-,21-18-,23-20-,28-25-,31-27-,41-38-/t56-/m0/s1 Image of MNXM136005
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22]/[CH:25]=[CH:28]\[CH2:29][CH2:32][CH2:34][CH2:37][CH2:40][CH2:43][CH2:46][CH2:49][CH2:52][C:58](=[O:61])[O:64][CH2:55][C@H:56]([CH2:54][O:63][C:57]([CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:33][CH2:30][CH2:26]/[CH:23]=[CH:20]\[CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:60])[O:65][C:59]([CH2:53][CH2:50][CH2:47][CH2:44]/[CH:41]=[CH:38]\[CH2:35]/[CH:31]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15]/[CH:12]=[CH:9]\[CH2:6][CH3:3])=[O:62]
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:000190485
slm:000190485
KGXLFILNVZRKPC-WCBKNSSZSA-N
1-(11Z-eicosenoyl)-2-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-3-(11Z-octadecenoyl)-sn-glycerol
TG(20:1(11Z)/18:4(6Z,9Z,12Z,15Z)/18:1(11Z))
Triacylglycerol (20:1(11Z)/18:4(6Z,9Z,12Z,15Z)/18:1(11Z))
hmdb:HMDB0049578
KGXLFILNVZRKPC-WCBKNSSZSA-N
TG(18:1(11Z)/18:4(6Z,9Z,12Z,15Z)/20:1(11Z))
(2S)-3-[(11Z)-octadec-11-enoyloxy]-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propyl (11Z)-icos-11-enoate
1-(11Z-Octadecenoyl)-2-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-3-(11-eicosenoyl)-glycerol
1-Vaccenoyl-2-stearidonoyl-3-eicosenoyl-glycerol
TAG(18:1/18:4/20:1)
TAG(56:6)
TG(18:1/18:4/20:1)
TG(56:6)
Tracylglycerol(18:1/18:4/20:1)
Tracylglycerol(56:6)
Triacylglycerol
Triglyceride

hmdb:HMDB49578
secondary/obsolete/fantasy identifier