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TG(16:1(9Z)/20:2n6/20:3(5Z,8Z,11Z))

PropertiesImage
MNX_IDMNXM134661 Image of MNXM134661
referencehmdb:HMDB0048791
formulaC59H102O6
global charge0
mol weight907.459
InChIKeyITSUTQOEEARFRV-GMEZJNPVSA-N
InChIInChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h17,20-21,24-28,31,34,40,43,56H,4-16,18-19,22-23,29-30,32-33,35-39,41-42,44-55H2,1-3H3/b20-17-,24-21-,27-25-,28-26-,34-31-,43-40-/t56-/m0/s1
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC
MNX internals
InChI (mnx)InChI=1/C59H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h17,20-21,24-28,31,34,40,43,56H,4-16,18-19,22-23,29-30,32-33,35-39,41-42,44-55H2,1-3H3/b20-17-,24-21-,27-25-,28-26-,34-31-,43-40-/t56-/m0/s1 Image of MNXM134661
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22]/[CH:25]=[CH:27]\[CH2:29]/[CH:31]=[CH:34]\[CH2:37]/[CH:40]=[CH: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]/[CH:24]=[CH:21]\[CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:60])[O:65][C:59]([CH2:53][CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:32][CH2:30]/[CH:28]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[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
hmdb:HMDB0048791
ITSUTQOEEARFRV-GMEZJNPVSA-N 		TG(16:1(9Z)/20:2n6/20:3(5Z,8Z,11Z))
(2S)-3-[(9Z)-hexadec-9-enoyloxy]-2-[(11Z,14Z)-icosa-11,14-dienoyloxy]propyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate
1-(9Z-Hexadecenoyl)-2-(11Z,14Z-eicosadienoyl)-3-(5Z,8Z,11Z-eicosatrienoyl)-glycerol
1-Palmitoleoyl-2-eicosadienoyl-3-meadoyl-glycerol
TAG(16:1/20:2/20:3)
TAG(16:1/20:2W6/20:3)
TAG(16:1/20:2n6/20:3)
TAG(56:6)
TG(16:1(9Z)/20:2(11Z,14Z)/20:3(5Z,8Z,11Z))
TG(16:1/20:2/20:3)
TG(16:1/20:2W6/20:3)
TG(16:1/20:2n6/20:3)
TG(16:1W7/20:2W6/20:3W9)
TG(16:1n7/20:2n6/20:3n9)
TG(56:6)
Tag(16:1(9Z)/20:2(11Z,14Z)/20:3(5Z,8Z,11Z))
Tag(16:1W7/20:2W6/20:3W9)
Tag(16:1n7/20:2n6/20:3n9)
Tracylglycerol(16:1/20:2/20:3)
Tracylglycerol(16:1/20:2W6/20:3)
Tracylglycerol(16:1/20:2n6/20:3)
Tracylglycerol(56:6)
Triacylglycerol
Triacylglycerol(16:1(9Z)/20:2(11Z,14Z)/20:3(5Z,8Z,11Z))
Triacylglycerol(16:1/20:2/20:3)
Triacylglycerol(16:1W7/20:2W6/20:3W9)
Triacylglycerol(16:1n7/20:2n6/20:3n9)
Triacylglycerol(56:6)
Triglyceride

hmdb:HMDB48791 		secondary/obsolete/fantasy identifier