EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:184573 - TG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))

ChEBI IDCHEBI:184573
ChEBI NameTG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC61H104O6
Net Charge0
Average Mass933.497
Monoisotopic Mass932.78329
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC(COC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCC
InChIInChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,19-21,23-25,28,30-31,37,40,46,49,58H,4-15,17-18,22,26-27,29,32-36,38-39,41-45,47-48,50-57H2,1-3H3/b19-16-,23-20-,24-21-,28-25-,31-30-,40-37-,49-46-
InChIKeyMARMEIRCQLHJGG-QHWYGHQASA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
TG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)) (CHEBI:184573) is a triglyceride (CHEBI:17855)
IUPAC Name 
1,3-bis[[(Z)-octadec-11-enoyl]oxy]propan-2-yl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate
Manual XrefsDatabases
HMDB0049534HMDB
30777923ChemSpider