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CHEBI:185119 - TG(22:0/i-22:0/i-17:0)

ChEBI IDCHEBI:185119
ChEBI NameTG(22:0/i-22:0/i-17:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC64H124O6
Net Charge0
Average Mass989.690
Monoisotopic Mass988.93979
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C64H124O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-21-24-29-34-39-44-49-54-62(65)68-57-61(58-69-63(66)55-50-45-40-35-31-26-28-33-38-43-48-53-60(4)5)70-64(67)56-51-46-41-36-30-25-22-19-18-20-23-27-32-37-42-47-52-59(2)3/h59-61H,6-58H2,1-5H3/t61-/m0/s1
InChIKeyNEMSKTPWJZDFPS-WMNDHARXSA-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/i-22:0/i-17:0) (CHEBI:185119) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-2-(20-methylhenicosanoyloxy)-3-(15-methylhexadecanoyloxy)propyl] docosanoate
Manual XrefsDatabases
HMDB0069164HMDB
59670645ChemSpider