EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:185956 - TG(14:1(9Z)/14:1(9Z)/22:4(7Z,10Z,13Z,16Z))[iso3]

ChEBI IDCHEBI:185956
ChEBI NameTG(14:1(9Z)/14:1(9Z)/22:4(7Z,10Z,13Z,16Z))[iso3]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC53H90O6
Net Charge0
Average Mass823.297
Monoisotopic Mass822.67374
SMILESCCCC/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCC/C=C\CCCC
InChIInChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-31-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2/h14-19,23-24,26-27,29,32,50H,4-13,20-22,25,28,30-31,33-49H2,1-3H3/b17-14-,18-15-,19-16-,24-23-,27-26-,32-29-/t50-/m1/s1
InChIKeyUPZFPCJGSVTLNQ-YRACUENASA-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(14:1(9Z)/14:1(9Z)/22:4(7Z,10Z,13Z,16Z))[iso3] (CHEBI:185956) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2R)-2,3-bis[[(Z)-tetradec-9-enoyl]oxy]propyl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
Manual XrefsDatabases
LMGL03012839LIPID MAPS
113371564ChemSpider