EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:184958 - TG(14:0/18:2(9Z,12Z)/20:0)

ChEBI IDCHEBI:184958
ChEBI NameTG(14:0/18:2(9Z,12Z)/20:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC55H102O6
Net Charge0
Average Mass859.415
Monoisotopic Mass858.76764
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h17,20,25,28,52H,4-16,18-19,21-24,26-27,29-51H2,1-3H3/b20-17-,28-25-/t52-/m1/s1
InChIKeyTXMWKTABZBAJCW-QLHBUVOUSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
TG(14:0/18:2(9Z,12Z)/20:0) (CHEBI:184958) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2R)-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-tetradecanoyloxypropyl] icosanoate
Manual XrefsDatabases
75320246ChemSpider
LMGL03014387LIPID MAPS