Terminology Service for NFDI4Health
JSON

7-methylxanthine

Go to external page 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.

Term info

Label

7-methylxanthine

Synonyms
  • 7-methyl-3,7-dihydro-1H-purine-2,6-dione
  • 7-methylxanthine
database cross reference
Subsets

3_STAR

IUPAC NAME
7-methyl-3,7-dihydro-1H-purine-2,6-dione [ IUPAC ]

charge

0

formula

C6H6N4O2

has obo namespace

chebi_ontology

has related synonym

3,7-dihydro-7-methyl-1H-purine-2,6-dione, Heteroxanthine, 7-Methylxanthin, Heteroxanthin

id

CHEBI:48991

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

mass

166.13760

monoisotopicmass

166.04908

smiles

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