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TG(18:1(9Z)/18:1(11Z)/18:3(6Z,9Z,12Z))

PropertiesImage
MNX_IDMNXM136509 Image of MNXM136509
referencechebi:170836
formulaC57H100O6
global charge0
mol weight881.421
InChIKeyMSQGSTKKOSEGDB-FGYPPILCSA-N
InChIInChI=1S/C57H100O6/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/h16,19,21,24-26,28-29,34,37,54H,4-15,17-18,20,22-23,27,30-33,35-36,38-53H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,37-34-/t54-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCCCC/C=C\CCCCCC
MNX internals
InChI (mnx)InChI=1/C57H100O6/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/h16,19,21,24-26,28-29,34,37,54H,4-15,17-18,20,22-23,27,30-33,35-36,38-53H2,1-3H3/b19-16-,24-21-,28-25-,29-26-,37-34-/t54-/m1/s1 Image of MNXM136509
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:31]/[CH:34]=[CH:37]\[CH2:40][CH2:43][CH2:46][CH2:49][C:55](=[O:58])[O:61][CH2:52][C@H:54]([CH2:53][O:62][C:56]([CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:32]/[CH:29]=[CH:26]\[CH2:23][CH2:20][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][CH2:30][CH2:27]/[CH:24]=[CH: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:170836
chebi:170836
MSQGSTKKOSEGDB-FGYPPILCSA-N 		TG(18:1(9Z)/18:1(11Z)/18:3(6Z,9Z,12Z))
[(2S)-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxy-2-[(Z)-octadec-11-enoyl]oxypropyl] (Z)-octadec-9-enoate

SLM:000171996
slm:000171996
MSQGSTKKOSEGDB-FGYPPILCSA-N 		1-(6Z,9Z,12Z-octadecatrienoyl)-2-(11Z-octadecenoyl)-3-(9Z-octadecenoyl)-sn-glycerol
TG(18:3(6Z,9Z,12Z)/18:1(11Z)/18:1(9Z))
Triacylglycerol (18:3(6Z,9Z,12Z)/18:1(11Z)/18:1(9Z))
hmdb:HMDB0049887
MSQGSTKKOSEGDB-FGYPPILCSA-N 		TG(18:1(9Z)/18:1(11Z)/18:3(6Z,9Z,12Z))
(2S)-2-[(11Z)-octadec-11-enoyloxy]-3-[(9Z)-octadec-9-enoyloxy]propyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
1-(9Z-Octadecenoyl)-2-(11Z-octadecenoyl)-3-(6Z,9Z,12Z-octadecatrienoyl)-glycerol
1-Oleoyl-2-vaccenoyl-3-g-linolenoyl-glycerol
TAG(18:1/18:1/18:3)
TAG(54:5)
TG(18:1/18:1/18:3)
TG(54:5)
Tracylglycerol(18:1/18:1/18:3)
Tracylglycerol(54:5)
Triacylglycerol
Triglyceride

hmdb:HMDB49887 		secondary/obsolete/fantasy identifier