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1-(9Z-octadecenoyl)-2-(9Z,12Z-octadecadienoyl)-3-dodecanoyl-sn-glycerol

PropertiesImage
MNX_IDMNXM334266 Image of MNXM334266
referenceslm:000136388
formulaC51H92O6
global charge0
mol weight801.291
InChIKeyBVONKGDXNUHVPU-FFBRJUPPSA-N
InChIInChI=1S/C51H92O6/c1-4-7-10-13-16-19-21-23-25-27-29-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-31-18-15-12-9-6-3)57-51(54)45-42-39-36-33-30-28-26-24-22-20-17-14-11-8-5-2/h17,20,23-26,48H,4-16,18-19,21-22,27-47H2,1-3H3/b20-17-,25-23-,26-24-/t48-/m0/s1
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C51H92O6/c1-4-7-10-13-16-19-21-23-25-27-29-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-31-18-15-12-9-6-3)57-51(54)45-42-39-36-33-30-28-26-24-22-20-17-14-11-8-5-2/h17,20,23-26,48H,4-16,18-19,21-22,27-47H2,1-3H3/b20-17-,25-23-,26-24-/t48-/m0/s1 Image of MNXM334266
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:21]/[CH:23]=[CH:25]\[CH2:27][CH2:29][CH2:32][CH2:35][CH2:38][CH2:41][CH2:44][C:50](=[O:53])[O:56][CH2:47][C@H:48]([CH2:46][O:55][C:49]([CH2:43][CH2:40][CH2:37][CH2:34][CH2:31][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:52])[O:57][C:51]([CH2:45][CH2:42][CH2:39][CH2:36][CH2:33][CH2:30][CH2:28]/[CH:26]=[CH:24]\[CH2:22]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:54]
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:000136388
slm:000136388
BVONKGDXNUHVPU-FFBRJUPPSA-N
1-(9Z-octadecenoyl)-2-(9Z,12Z-octadecadienoyl)-3-dodecanoyl-sn-glycerol
TG(18:1(9Z)/18:2(9Z,12Z)/12:0)
Triacylglycerol (18:1(9Z)/18:2(9Z,12Z)/12:0)