EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:185021 - TG(14:0/22:2(13Z,16Z)/20:1(11Z))

ChEBI IDCHEBI:185021
ChEBI NameTG(14:0/22:2(13Z,16Z)/20:1(11Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC59H108O6
Net Charge0
Average Mass913.507
Monoisotopic Mass912.81459
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCC
InChIInChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,56H,4-15,17-18,20-23,28-55H2,1-3H3/b19-16-,26-24-,27-25-/t56-/m0/s1
InChIKeyIIKNEEHPRWXYIX-VERBRUMSSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
TG(14:0/22:2(13Z,16Z)/20:1(11Z)) (CHEBI:185021) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-1-[(Z)-icos-11-enoyl]oxy-3-tetradecanoyloxypropan-2-yl] (13Z,16Z)-docosa-13,16-dienoate
Manual XrefsDatabases
59652216ChemSpider
HMDB0042672HMDB