OntologieschebiclassesCHEBI:48991   
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7-methylxanthine
http://purl.obolibrary.org/obo/CHEBI_48991

An oxopurine that is xanthine in which the hydrogen attached to the nitrogen at position 7 is replaced by a methyl group. It is an intermediate metabolite in the synthesis of caffeine.

Also appears inprideslmefofobigo
Exact Synonyms
7-methyl-3,7-dihydro-1H-purine-2,6-dione
7-methylxanthine
Related Synonyms
3,7-dihydro-7-methyl-1H-purine-2,6-dione
7-Methylxanthin
Heteroxanthin
Heteroxanthine
class Information
charge

0

formula

C6H6N4O2

has_dbxref
has_obo_namespace

chebi_ontology

inchi

InChI=1S/C6H6N4O2/c1-10-2-7-4-3(10)5(11)9-6(12)8-4/h2H,1H3,(H2,8,9,11,12)

inchikey

PFWLFWPASULGAN-UHFFFAOYSA-N

in_subset

3_STAR

mass

166.13760

monoisotopicmass

166.04908

smiles

Cn1cnc2[nH]c(=O)[nH]c(=O)c12

class Relations