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1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-2-(9Z,12Z-octadecadienoyl)-3-tetradecanoyl-sn-glycerol

PropertiesImage
MNX_IDMNXM131398 Image of MNXM131398
referenceslm:000167506
formulaC57H94O6
global charge0
mol weight875.373
InChIKeyAINACBPMKQPREK-JNWVTVBCSA-N
InChIInChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-26,28-30,32,35,41,44,54H,4-6,8-9,11-15,18,21-23,27,31,33-34,36-40,42-43,45-53H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,29-28-,30-25-,35-32-,44-41-/t54-/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)CCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC
MNX internals
InChI (mnx)InChI=1/C57H94O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-26,28-30,32,35,41,44,54H,4-6,8-9,11-15,18,21-23,27,31,33-34,36-40,42-43,45-53H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,29-28-,30-25-,35-32-,44-41-/t54-/m0/s1 Image of MNXM131398
SMILES (mnx)[CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:24]=[CH:26]\[CH2:27]/[CH:28]=[CH:29]\[CH2:31]/[CH:32]=[CH:35]\[CH2:38]/[CH:41]=[CH:44]\[CH2:47][CH2:50][C:56](=[O:59])[O:62][CH2:53][C@H:54]([CH2:52][O:61][C:55]([CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:58])[O:63][C:57]([CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:33]/[CH:30]=[CH:25]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:60]
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:000167506
slm:000167506
AINACBPMKQPREK-JNWVTVBCSA-N 		1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-2-(9Z,12Z-octadecadienoyl)-3-tetradecanoyl-sn-glycerol
TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/14:0)
Triacylglycerol (22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/14:0)
hmdb:HMDB0042539
AINACBPMKQPREK-JNWVTVBCSA-N 		TG(14:0/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
(2S)-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]-3-(tetradecanoyloxy)propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
1-Myristoyl-2-linoleoyl-3-docosahexaenoyl-glycerol
1-Tetradecanoyl-2-(9Z,12Z-octadecadienoyl)-3-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-glycerol
TAG(14:0/18:2/22:6)
TAG(54:8)
TG(14:0/18:2/22:6)
TG(54:8)
Tracylglycerol(14:0/18:2/22:6)
Tracylglycerol(54:8)
Triacylglycerol
Triglyceride

hmdb:HMDB42539 		secondary/obsolete/fantasy identifier