EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:172836 - TG(14:1(9Z)/18:1(11Z)/o-18:0)

ChEBI IDCHEBI:172836
ChEBI NameTG(14:1(9Z)/18:1(11Z)/o-18:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC53H100O5
Net Charge0
Average Mass817.378
Monoisotopic Mass816.75708
SMILESCCCC/C=C\CCCCCCCC(=O)OC[C@@H](COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC/C=C\CCCCCC
InChIInChI=1S/C53H100O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-56-49-51(50-57-52(54)46-43-40-37-34-31-21-18-15-12-9-6-3)58-53(55)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h15,18,20,23,51H,4-14,16-17,19,21-22,24-50H2,1-3H3/b18-15-,23-20-/t51-/m1/s1
InChIKeyAEZVXOVFWPFQHQ-SVLPHVQZSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
Roles Classification
Biological Roles:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
TG(14:1(9Z)/18:1(11Z)/o-18:0) (CHEBI:172836) is a diglyceride (CHEBI:18035)
IUPAC Name 
[(2R)-1-octadecoxy-3-[(Z)-tetradec-9-enoyl]oxypropan-2-yl] (Z)-octadec-11-enoate
Manual XrefsDatabases
HMDB0047953HMDB
59657114ChemSpider