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TG(22:1(13Z)/14:0/18:3(9Z,12Z,15Z))

PropertiesImage
MNX_IDMNXM142116 Image of MNXM142116
referencechebi:170887
formulaC57H102O6
global charge0
mol weight883.437
InChIKeyKTVCIQXPZYXPQV-SFRWRGALSA-N
InChIInChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-26,30,54H,4-7,9-10,12-16,18-19,21-23,27-29,31-53H2,1-3H3/b11-8-,20-17-,26-24-,30-25-/t54-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C57H102O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-26,30,54H,4-7,9-10,12-16,18-19,21-23,27-29,31-53H2,1-3H3/b11-8-,20-17-,26-24-,30-25-/t54-/m1/s1 Image of MNXM142116
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22]/[CH:24]=[CH:26]\[CH2:27][CH2:28][CH2:29][CH2:31][CH2:33][CH2:36][CH2:38][CH2:41][CH2:44][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][CH2:35][CH2:32]/[CH:30]=[CH:25]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:58])[O:63][C:57]([CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:34][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[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

CHEBI:170887
chebi:170887
KTVCIQXPZYXPQV-SFRWRGALSA-N 		TG(22:1(13Z)/14:0/18:3(9Z,12Z,15Z))
[(2S)-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-2-tetradecanoyloxypropyl] (Z)-docos-13-enoate

SLM:000173148
slm:000173148
KTVCIQXPZYXPQV-SFRWRGALSA-N 		1-(9Z,12Z,15Z-octadecatrienoyl)-2-tetradecanoyl-3-(13Z-docosenoyl)-sn-glycerol
TG(18:3(9Z,12Z,15Z)/14:0/22:1(13Z))
Triacylglycerol (18:3(9Z,12Z,15Z)/14:0/22:1(13Z))
hmdb:HMDB0051418
KTVCIQXPZYXPQV-SFRWRGALSA-N 		TG(22:1(13Z)/14:0/18:3(9Z,12Z,15Z))
(2S)-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]-2-(tetradecanoyloxy)propyl (13Z)-docos-13-enoate
1-(13Z-Docosenoyl)-2-tetradecanoyl-3-(9Z,12Z,15Z-octadeatrienoyl)-glycerol
1-Erucoyl-2-myristoyl-3-a-linolenoyl-glycerol
TAG(22:1/14:0/18:3)
TAG(54:4)
TG(22:1/14:0/18:3)
TG(54:4)
Tracylglycerol(22:1/14:0/18:3)
Tracylglycerol(54:4)
Triacylglycerol
Triglyceride

hmdb:HMDB51418 		secondary/obsolete/fantasy identifier