EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:196906 - TG(20:3n6/14:1(9Z)/18:4(6Z,9Z,12Z,15Z))

ChEBI IDCHEBI:196906
ChEBI NameTG(20:3n6/14:1(9Z)/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)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCC/C=C\CCCC
InChIInChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-26,28-29,31,33,35,52H,4-7,9-10,12-14,21-23,27,30,32,34,36-51H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,28-25-,31-29-,35-33-/t52-/m1/s1
InChIKeyJZYUZFRSWLYWPS-YVFBEOAMSA-N
ChEBI Ontology
Outgoing Relation(s)
TG(20:3n6/14:1(9Z)/18:4(6Z,9Z,12Z,15Z)) (CHEBI:196906) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] (8Z,11Z,14Z)-icosa-8,11,14-trienoate
Manual XrefsDatabases
HMDB0053743HMDB
59662428ChemSpider