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1-(9Z,12Z,15Z-octadecatrienoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-3-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycerol

PropertiesImage
MNX_IDMNXM140749 Image of MNXM140749
referenceslm:000221455
formulaC63H98O6
global charge0
mol weight951.471
InChIKeyVKRQAJCUHSEXPY-LOMNKZHRSA-N
InChIInChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,31,33-35,38-39,42,48,51,60H,4-6,8,11,13-15,22-24,30,32,36-37,40-41,43-47,49-50,52-59H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,51-48-/t60-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@@H](COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
MNX internals
InChI (mnx)InChI=1/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,31,33-35,38-39,42,48,51,60H,4-6,8,11,13-15,22-24,30,32,36-37,40-41,43-47,49-50,52-59H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,38-35-,42-39-,51-48-/t60-/m1/s1 Image of MNXM140749
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:39]=[CH:42]\[CH2:45]/[CH:48]=[CH:51]\[CH2:54][CH2:57][C:63](=[O:66])[O:69][C@H:60]([CH2:58][O:67][C:61]([CH2:55][CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:37]/[CH:34]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15]/[CH:12]=[CH:9]\[CH2:6][CH3:3])=[O:64])[CH2:59][O:68][C:62]([CH2:56][CH2:53][CH2:50][CH2:47][CH2:44][CH2:41]/[CH:38]=[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:65]
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:000221455
slm:000221455
VKRQAJCUHSEXPY-LOMNKZHRSA-N 		1-(9Z,12Z,15Z-octadecatrienoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-3-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycerol
TG(18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z))
Triacylglycerol (18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z))
hmdb:HMDB0053994
VKRQAJCUHSEXPY-LOMNKZHRSA-N 		TG(20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))
(2R)-1-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propan-2-yl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
1-(8Z,11Z,14Z-Eicosatrienoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-3-(9Z,12Z,15Z-octadeatrienoyl)-glycerol
1-Dihomo-gamma-linolenoyl-2-docosahexaenoyl-3-alpha-linolenoyl-glycerol
1-Homo-g-linolenoyl-2-docosahexaenoyl-3-a-linolenoyl-glycerol
TAG(20:3/22:6/18:3)
TAG(20:3W6/22:6/18:3)
TAG(20:3n6/22:6/18:3)
TAG(60:12)
TG(20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))
TG(20:3/22:6/18:3)
TG(20:3W6/22:6/18:3)
TG(20:3W6/22:6W3/18:3W3)
TG(20:3n6/22:6/18:3)
TG(20:3n6/22:6n3/18:3n3)
TG(60:12)
Tag(20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))
Tag(20:3W6/22:6W3/18:3W3)
Tag(20:3n6/22:6n3/18:3n3)
Tracylglycerol(20:3/22:6/18:3)
Tracylglycerol(20:3W6/22:6/18:3)
Tracylglycerol(20:3n6/22:6/18:3)
Tracylglycerol(60:12)
Triacylglycerol
Triacylglycerol(20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))
Triacylglycerol(20:3/22:6/18:3)
Triacylglycerol(20:3W6/22:6W3/18:3W3)
Triacylglycerol(20:3n6/22:6n3/18:3n3)
Triacylglycerol(60:12)
Triglyceride

hmdb:HMDB53994 		secondary/obsolete/fantasy identifier