EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:172835 - TG(14:0/15:0/20:3(5Z,8Z,11Z))

Default Structure
ChEBI IDCHEBI:172835
ChEBI NameTG(14:0/15:0/20:3(5Z,8Z,11Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC52H94O6
Net Charge0
Average Mass815.318
Monoisotopic Mass814.70504
SMILESCCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC
InChIInChI=1S/C52H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-30-23-20-17-14-11-8-5-2/h24-25,27-28,33,36,49H,4-23,26,29-32,34-35,37-48H2,1-3H3/b25-24-,28-27-,36-33-/t49-/m0/s1
InChIKeyIMTHJSQGZRSJGG-SEFBPNTPSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
TG(14:0/15:0/20:3(5Z,8Z,11Z)) (CHEBI:172835) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-2-pentadecanoyloxy-3-tetradecanoyloxypropyl] (5Z,8Z,11Z)-icosa-5,8,11-trienoate
Manual XrefsDatabases
59651668ChemSpider
HMDB0042103HMDB