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1,3-di-(8Z,11Z,14Z-eicosatrienoyl)-2-tridecanoyl-sn-glycerol

PropertiesImage
MNX_IDMNXM178354 Image of MNXM178354
referenceslm:000161431
formulaC56H96O6
global charge0
mol weight865.378
InChIKeyJBAIEBOQMFFKSH-NKVKJMFRSA-N
InChIInChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-37-39-42-45-48-54(57)60-51-53(62-56(59)50-47-44-41-36-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-38-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,30-33,53H,4-15,18,21-23,28-29,34-52H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,32-30-,33-31-
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OCC(COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C56H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-37-39-42-45-48-54(57)60-51-53(62-56(59)50-47-44-41-36-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-38-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,30-33,53H,4-15,18,21-23,28-29,34-52H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,32-30-,33-31- Image of MNXM178354
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:24]=[CH:26]\[CH2:28]/[CH:30]=[CH:32]\[CH2:34][CH2:37][CH2:39][CH2:42][CH2:45][CH2:48][C:54](=[O:57])[O:60][CH2:51][CH:53]([CH2:52][O:61][C:55]([CH2:49][CH2:46][CH2:43][CH2:40][CH2:38][CH2:35]/[CH:33]=[CH:31]\[CH2:29]/[CH:27]=[CH:25]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:58])[O:62][C:56]([CH2:50][CH2:47][CH2:44][CH2:41][CH2:36][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:59]
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:000161431
slm:000161431
JBAIEBOQMFFKSH-NKVKJMFRSA-N
1,3-di-(8Z,11Z,14Z-eicosatrienoyl)-2-tridecanoyl-sn-glycerol
TG(20:3(8Z,11Z,14Z)/13:0/20:3(8Z,11Z,14Z))
Triacylglycerol (20:3(8Z,11Z,14Z)/13:0/20:3(8Z,11Z,14Z))