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1,3-ditridecanoyl-2-(10Z,13Z,16Z-docosatrienoyl)-sn-glycerol

PropertiesImage
MNX_IDMNXM179258 Image of MNXM179258
referenceslm:000136222
formulaC51H92O6
global charge0
mol weight801.291
InChIKeyHMWLZJMFIBEDKD-DXRCUXMPSA-N
InChIInChI=1S/C51H92O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-20-17-14-11-8-5-2)47-56-50(53)44-41-38-35-32-21-18-15-12-9-6-3/h16,19,23-24,26-27,48H,4-15,17-18,20-22,25,28-47H2,1-3H3/b19-16-,24-23-,27-26-
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C51H92O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-20-17-14-11-8-5-2)47-56-50(53)44-41-38-35-32-21-18-15-12-9-6-3/h16,19,23-24,26-27,48H,4-15,17-18,20-22,25,28-47H2,1-3H3/b19-16-,24-23-,27-26- Image of MNXM179258
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:23]=[CH:24]\[CH2:25]/[CH:26]=[CH:27]\[CH2:28][CH2:29][CH2:30][CH2:33][CH2:36][CH2:39][CH2:42][CH2:45][C:51](=[O:54])[O:57][CH:48]([CH2:46][O:55][C:49]([CH2:43][CH2:40][CH2:37][CH2:34][CH2:31][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:52])[CH2:47][O:56][C:50]([CH2:44][CH2:41][CH2:38][CH2:35][CH2:32][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:53]
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:000136222
slm:000136222
HMWLZJMFIBEDKD-DXRCUXMPSA-N
1,3-ditridecanoyl-2-(10Z,13Z,16Z-docosatrienoyl)-sn-glycerol
TG(13:0/22:3(10Z,13Z,16Z)/13:0)
Triacylglycerol (13:0/22:3(10Z,13Z,16Z)/13:0)