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7-methylxanthine

Properties

Image

Occurences in reactions

MNX_ID

MNXM628

	#reac
in my sandbox	0
in MNXref (generic)	15
in models (compartimentalized)	1

formula

C₆H₆N₄O₂

charge

mass

166.04908

reference

InChIKey

PFWLFWPASULGAN-UHFFFAOYSA-N

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)

SMILES

Cn1cnc2[nH]c(=O)[nH]c(=O)c21

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:48991 chebi:48991	7-methylxanthine 3,7-dihydro-7-methyl-1H-purine-2,6-dione 7-Methylxanthin 7-methyl-3,7-dihydro-1H-purine-2,6-dione Heteroxanthin Heteroxanthine
sabiork.compound:30048 sabiorkM:30048 envipath:...4b47da9d2641 envipathM:...4b47da9d2641 kegg.compound:C16353 keggC:C16353	7-Methylxanthine
hmdb:HMDB0001991	7-Methylxanthine 2,6-Dihydroxy-7-methylpurine 3,7-Dihydro-7-methyl-1H-purine-2,6-dione 7-Methyl-3,7-dihydro-1H-purine-2,6-dione 7-Methyl-7H-purine-2,6-diol 7-Methylxanthin 7-Methylxanthine, 7-(13)C-labeled 7-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione 7-methylxanthine Heteroxanthin Heteroxanthine Methylxanthine
seed.compound:cpd15069 seedM:cpd15069	7-Methylxanthine 3,7-dihydro-7-methyl-1H-purine-2,6-dione 7-methylxanthine heteroxanthine
metacyc.compound:7-METHYLXANTHINE metacycM:7-METHYLXANTHINE	7-methylxanthine 3,7-dihydro-7-methyl-1H-purine-2,6-dione heteroxanthine
envipath:...a4cc0883b37a envipathM:...a4cc0883b37a	compound 0062104
hmdb:HMDB01991 keggC:M_C16353 seedM:M_cpd15069	secondary/obsolete/fantasy identifier