EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:185188 - TG(15:0/18:1(11Z)/20:3(5Z,8Z,11Z))

ChEBI IDCHEBI:185188
ChEBI NameTG(15:0/18:1(11Z)/20:3(5Z,8Z,11Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC56H100O6
Net Charge0
Average Mass869.410
Monoisotopic Mass868.75199
SMILESCCCCCC/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCCC
InChIInChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h20,23,25,27,30-31,37,40,53H,4-19,21-22,24,26,28-29,32-36,38-39,41-52H2,1-3H3/b23-20-,27-25-,31-30-,40-37-/t53-/m0/s1
InChIKeyGERLFMOTGFFRCJ-BPIHBGKLSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
TG(15:0/18:1(11Z)/20:3(5Z,8Z,11Z)) (CHEBI:185188) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-2-[(Z)-octadec-11-enoyl]oxy-3-pentadecanoyloxypropyl] (5Z,8Z,11Z)-icosa-5,8,11-trienoate
Manual XrefsDatabases
59652753ChemSpider
HMDB0043232HMDB