EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:196934 - TG(15:1(9Z)/17:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso6]

ChEBI IDCHEBI:196934
ChEBI NameTG(15:1(9Z)/17:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso6]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC55H90O6
Net Charge0
Average Mass847.319
Monoisotopic Mass846.67374
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\CCCCC)OC(=O)CCCCCCC/C=C\C/C=C\CCCC
InChIInChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-25-27-28-29-31-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-30-26-23-20-17-14-11-8-5-2/h7,10,14,16-19,21,23,25-27,29,31,36,39,52H,4-6,8-9,11-13,15,20,22,24,28,30,32-35,37-38,40-51H2,1-3H3/b10-7-,17-14-,19-16-,21-18-,26-23-,27-25-,31-29-,39-36-/t52-/m1/s1
InChIKeyDCNBTUBEKUIKFK-OJIFHZFKSA-N
ChEBI Ontology
Outgoing Relation(s)
TG(15:1(9Z)/17:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso6] (CHEBI:196934) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2R)-2-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-3-[(Z)-pentadec-9-enoyl]oxypropyl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
Manual XrefsDatabases
113373492ChemSpider
LMGL03015467LIPID MAPS