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CHEBI:182023 - Theobromine-d6

ChEBI IDCHEBI:182023
ChEBI NameTheobromine-d6
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC7H2D6N4O2
Net Charge0
Average Mass186.204
Monoisotopic Mass186.10239
SMILES[2H]C([2H])([2H])n1cnc2c1c(=O)nc(=O)n2C([2H])([2H])[2H]
InChIInChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)/i1D3,2D3
InChIKeyYAPQBXQYLJRXSA-WFGJKAKNSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) serum (BTO:0001239) MetaboLights (MTBLS3487) Strain: C57BL [EFO:0005181]
ChEBI Ontology
Outgoing Relation(s)
Theobromine-d6 (CHEBI:182023) is a oxopurine (CHEBI:25810)
IUPAC Name 
3,7-bis(trideuteriomethyl)purine-2,6-dione
Manual XrefsDatabases
23630331ChemSpider