EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:185397 - TG(20:4(5Z,8Z,11Z,14Z)/20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))

ChEBI IDCHEBI:185397
ChEBI NameTG(20:4(5Z,8Z,11Z,14Z)/20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC65H106O6
Net Charge0
Average Mass983.557
Monoisotopic Mass982.79894
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C65H106O6/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/h7,10,16-17,19-20,25-30,32,35-36,39-40,43,45,48,62H,4-6,8-9,11-15,18,21-24,31,33-34,37-38,41-42,44,46-47,49-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,43-40-,48-45-/t62-/m0/s1
InChIKeyIJHVGPWBIKZONW-RAWQADCKSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
TG(20:4(5Z,8Z,11Z,14Z)/20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)) (CHEBI:185397) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2R)-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy-2-[(Z)-icos-11-enoyl]oxypropyl] (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate
Manual XrefsDatabases
HMDB0054141HMDB
59662844ChemSpider