EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:185331 - TG(15:0/16:1(9Z)/18:2(9Z,12Z))

ChEBI IDCHEBI:185331
ChEBI NameTG(15:0/16:1(9Z)/18:2(9Z,12Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC52H94O6
Net Charge0
Average Mass815.318
Monoisotopic Mass814.70504
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCC
InChIInChI=1S/C52H94O6/c1-4-7-10-13-16-19-22-25-26-28-30-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-31-27-23-20-17-14-11-8-5-2/h16,19-20,23,25-26,49H,4-15,17-18,21-22,24,27-48H2,1-3H3/b19-16-,23-20-,26-25-/t49-/m1/s1
InChIKeyCQSXCZMDDSQLAG-WWEIEGDESA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
TG(15:0/16:1(9Z)/18:2(9Z,12Z)) (CHEBI:185331) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2R)-2-[(Z)-hexadec-9-enoyl]oxy-3-pentadecanoyloxypropyl] (9Z,12Z)-octadeca-9,12-dienoate
Manual XrefsDatabases
LMGL03015036LIPID MAPS
113373162ChemSpider