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CHEBI:184860 - TG(18:1(11Z)/18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))

ChEBI IDCHEBI:184860
ChEBI NameTG(18:1(11Z)/18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC61H100O6
Net Charge0
Average Mass929.465
Monoisotopic Mass928.75199
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCC
InChIInChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h9,12,16,18-21,23,25,27-28,30-31,33,36,39,45,48,58H,4-8,10-11,13-15,17,22,24,26,29,32,34-35,37-38,40-44,46-47,49-57H2,1-3H3/b12-9-,19-16-,21-18-,23-20-,28-25-,31-30-,33-27-,39-36-,48-45-/t58-/m0/s1
InChIKeyYJGSRUSBXRDZRR-UWDGBWHKSA-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)/18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z)) (CHEBI:184860) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-3-[(Z)-octadec-11-enoyl]oxypropyl] (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate
Manual XrefsDatabases
59658619ChemSpider
HMDB0049568HMDB