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TG(18:1(11Z)/18:2(9Z,12Z)/18:1(11Z))

PropertiesImage
MNX_IDMNXM135936 Image of MNXM135936
referencechebi:170909
formulaC57H102O6
global charge0
mol weight883.437
InChIKeyWQAWIGRUXVAAIX-KGDSFANMSA-N
InChIInChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18-23,27,30,54H,4-17,24-26,28-29,31-53H2,1-3H3/b21-18-,22-19-,23-20-,30-27-
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCC
MNX internals
InChI (mnx)InChI=1/C57H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18-23,27,30,54H,4-17,24-26,28-29,31-53H2,1-3H3/b21-18-,22-19-,23-20-,30-27- Image of MNXM135936
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16]/[CH:19]=[CH:22]\[CH2:25][CH2:28][CH2:31][CH2:34][CH2:37][CH2:40][CH2:43][CH2:46][CH2:49][C:55](=[O:58])[O:61][CH2:52][CH:54]([CH2:53][O:62][C:56]([CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:32][CH2:29][CH2:26]/[CH:23]=[CH:20]\[CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:59])[O:63][C:57]([CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:33]/[CH:30]=[CH:27]\[CH2:24]/[CH:21]=[CH: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:170909
chebi:170909
WQAWIGRUXVAAIX-KGDSFANMSA-N
TG(18:1(11Z)/18:2(9Z,12Z)/18:1(11Z))
[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-[(Z)-octadec-11-enoyl]oxypropyl] (Z)-octadec-11-enoate

SLM:000173379
slm:000173379
WQAWIGRUXVAAIX-KGDSFANMSA-N
1,3-di-(11Z-octadecenoyl)-2-(9Z,12Z-octadecadienoyl)-sn-glycerol
TG(18:1(11Z)/18:2(9Z,12Z)/18:1(11Z))
Triacylglycerol (18:1(11Z)/18:2(9Z,12Z)/18:1(11Z))
hmdb:HMDB0049387
WQAWIGRUXVAAIX-KGDSFANMSA-N
TG(18:1(11Z)/18:2(9Z,12Z)/18:1(11Z))
1,3-bis[(11Z)-octadec-11-enoyloxy]propan-2-yl (9Z,12Z)-octadeca-9,12-dienoate
1-(11Z-Octadecenoyl)-2-(9Z,12Z-octadecadienoyl)-3-(11Z-octadecenoyl)-glycerol
1-Vaccenoyl-2-linoleoyl-3-vaccenoyl-glycerol
TAG(18:1/18:2/18:1)
TAG(54:4)
TG(18:1/18:2/18:1)
TG(54:4)
Tracylglycerol(18:1/18:2/18:1)
Tracylglycerol(54:4)
Triacylglycerol
Triglyceride

hmdb:HMDB49387
secondary/obsolete/fantasy identifier