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CHEBI:196891 - TG(14:1(9Z)/20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z))

ChEBI IDCHEBI:196891
ChEBI NameTG(14:1(9Z)/20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC55H90O6
Net Charge0
Average Mass847.319
Monoisotopic Mass846.67374
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C\CCCC)OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
InChIInChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-26,28-29,31,33,36-37,40,52H,4-7,9-10,12-14,16,19,21-23,27,30,32,34-35,38-39,41-51H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,28-25-,31-29-,36-33-,40-37-/t52-/m0/s1
InChIKeyPPTDRDIWUFQBQP-HSAVOIBOSA-N
ChEBI Ontology
Outgoing Relation(s)
TG(14:1(9Z)/20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z)) (CHEBI:196891) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-1-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropan-2-yl] (5Z,8Z,11Z)-icosa-5,8,11-trienoate
Manual XrefsDatabases
HMDB0048017HMDB
59657175ChemSpider