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CHEBI:184412 - TG(I-22:0/21:0/i-18:0)

ChEBI IDCHEBI:184412
ChEBI NameTG(I-22:0/21:0/i-18:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC64H124O6
Net Charge0
Average Mass989.690
Monoisotopic Mass988.93979
SMILESCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C64H124O6/c1-6-7-8-9-10-11-12-13-14-15-16-21-24-31-36-41-46-51-56-64(67)70-61(58-69-63(66)55-50-45-40-35-30-26-25-28-33-38-43-48-53-60(4)5)57-68-62(65)54-49-44-39-34-29-23-20-18-17-19-22-27-32-37-42-47-52-59(2)3/h59-61H,6-58H2,1-5H3/t61-/m0/s1
InChIKeyASZMXDAXTSMCBR-WMNDHARXSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
TG(I-22:0/21:0/i-18:0) (CHEBI:184412) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-2-henicosanoyloxy-3-(16-methylheptadecanoyloxy)propyl] 20-methylhenicosanoate
Manual XrefsDatabases
HMDB0069173HMDB
59670654ChemSpider