EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:184787 - TG(22:0/20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))

ChEBI IDCHEBI:184787
ChEBI NameTG(22:0/20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC65H110O6
Net Charge0
Average Mass987.589
Monoisotopic Mass986.83024
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-30,36,38-39,41,45,48,62H,4-8,10-11,13-16,19,22-25,28,31-35,37,40,42-44,46-47,49-61H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,30-27-,39-36-,41-38-,48-45-/t62-/m1/s1
InChIKeyREQWVKJAYRFGRK-WOEFQZSZSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
TG(22:0/20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z)) (CHEBI:184787) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy-2-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyl]oxypropyl] docosanoate
Manual XrefsDatabases
HMDB0046895HMDB
59656115ChemSpider