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1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-2-(9Z-octadecenoyl)-3-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycerol

PropertiesImage
MNX_IDMNXM140532 Image of MNXM140532
referenceslm:000225030
formulaC63H102O6
global charge0
mol weight955.503
InChIKeyHXTJEHRYNIVMJO-LDCCXADYSA-N
InChIInChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-29,31,33-35,37-38,41,47,50,60H,4-6,8-9,11-15,18,21-24,30,32,36,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,50-47-/t60-/m0/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC
MNX internals
InChI (mnx)InChI=1/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-29,31,33-35,37-38,41,47,50,60H,4-6,8-9,11-15,18,21-24,30,32,36,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,50-47-/t60-/m0/s1 Image of MNXM140532
SMILES (mnx)[CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:30]/[CH:31]=[CH:33]\[CH2:36]/[CH:38]=[CH:41]\[CH2:44]/[CH:47]=[CH:50]\[CH2:53][CH2:56][C:62](=[O:65])[O:68][CH2:59][C@H:60]([CH2:58][O:67][C:61]([CH2:55][CH2:52][CH2:49][CH2:46][CH2:43][CH2:40]/[CH:37]=[CH:35]\[CH2:32]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:64])[O:69][C:63]([CH2:57][CH2:54][CH2:51][CH2:48][CH2:45][CH2:42][CH2:39]/[CH:34]=[CH:27]\[CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:66]
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:000225030
slm:000225030
HXTJEHRYNIVMJO-LDCCXADYSA-N 		1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-2-(9Z-octadecenoyl)-3-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycerol
TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/20:3(8Z,11Z,14Z))
Triacylglycerol (22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/20:3(8Z,11Z,14Z))
hmdb:HMDB0053783
HXTJEHRYNIVMJO-LDCCXADYSA-N 		TG(20:3n6/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
(2S)-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-2-[(9Z)-octadec-9-enoyloxy]propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
1-(8Z,11Z,14Z-Eicosatrienoyl)-2-(9Z-octadecenoyl)-3-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-glycerol
1-Dihomo-gamma-linolenoyl-2-oleoyl-3-docosahexaenoyl-glycerol
1-Homo-g-linolenoyl-2-oleoyl-3-docosahexaenoyl-glycerol
TAG(20:3/18:1/22:6)
TAG(20:3W6/18:1/22:6)
TAG(20:3n6/18:1/22:6)
TAG(60:10)
TG(20:3(8Z,11Z,14Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(20:3/18:1/22:6)
TG(20:3W6/18:1/22:6)
TG(20:3W6/18:1W9/22:6W3)
TG(20:3n6/18:1/22:6)
TG(20:3n6/18:1n9/22:6n3)
TG(60:10)
Tag(20:3(8Z,11Z,14Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Tag(20:3W6/18:1W9/22:6W3)
Tag(20:3n6/18:1n9/22:6n3)
Tracylglycerol(20:3/18:1/22:6)
Tracylglycerol(20:3W6/18:1/22:6)
Tracylglycerol(20:3n6/18:1/22:6)
Tracylglycerol(60:10)
Triacylglycerol
Triacylglycerol(20:3(8Z,11Z,14Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Triacylglycerol(20:3/18:1/22:6)
Triacylglycerol(20:3W6/18:1W9/22:6W3)
Triacylglycerol(20:3n6/18:1n9/22:6n3)
Triacylglycerol(60:10)
Triglyceride

hmdb:HMDB53783 		secondary/obsolete/fantasy identifier