EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:186458 - TG(13:0/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]

ChEBI IDCHEBI:186458
ChEBI NameTG(13:0/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC56H96O6
Net Charge0
Average Mass865.378
Monoisotopic Mass864.72069
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-33-30-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,28-29,32,34,40,43,53H,4-6,8-9,11-15,17-18,20-23,25,27,30-31,33,35-39,41-42,44-52H2,1-3H3/b10-7-,19-16-,26-24-,29-28-,34-32-,43-40-/t53-/m1/s1
InChIKeyCZHDPIRCZCRMPL-KTQAEESXSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
TG(13:0/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] (CHEBI:186458) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2R)-2-octadecanoyloxy-3-tridecanoyloxypropyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
Manual XrefsDatabases
LMGL03013926LIPID MAPS
75320112ChemSpider