**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

Feedback

1,7-dimethylxanthine

Properties

Image

Occurences in reactions

MNX_ID

MNXM758

	#reac
in my sandbox	0
in MNXref (generic)	28
in models (compartimentalized)	1

formula

C₇H₈N₄O₂

charge

mass

180.167

reference

InChIKey

QUNWUDVFRNGTCO-UHFFFAOYSA-N

InChI

InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13)

SMILES

[CH3:1][n:10]1[cH:3][n:8][c:5]2[c:4]1[c:6](=[O:12])[n:11]([CH3:2])[c:7]([OH:13])[n:9]2

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-158687 reactomeM:R-ALL-158687 reactome:R-ALL-76424 reactomeM:R-ALL-76424 CHEBI:25858 chebi:25858	1,7-dimethylxanthine 1,7-Dimethylxanthine 1,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione 3,7-Dihydro-1,7-dimethyl-1H-purine-2,6-dione Paraxanthine p-Xanthine
sabiork.compound:20386 sabiorkM:20386 kegg.compound:C13747 keggC:C13747	1,7-Dimethylxanthine Paraxanthine
envipath:...df9c3fd407b0 envipathM:...df9c3fd407b0	Paraxanthine
hmdb:HMDB0001860	Paraxanthine 1,7-Dimethyl-xanthine 1,7-Dimethylxanthine 3,7-Dihydro-1,7-dimethyl-1H-purine-2,6-dione p-Xanthine
seed.compound:cpd09576 seedM:cpd09576	Paraxanthine 1,7-Dimethylxanthine 1,7-dimethylxanthine paraxanthine
vmhM:pxthn vmhmetabolite:pxthn	Paraxanthine 1,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
envipath:...a80498a80e4f envipathM:...a80498a80e4f	compound 0062099
metacyc.compound:1-7-DIMETHYLXANTHINE metacycM:1-7-DIMETHYLXANTHINE	paraxanthine 1,7-dimethylxanthine
hmdb:HMDB01860 chebi:34067 keggC:M_C13747 seedM:M_cpd09576	secondary/obsolete/fantasy identifier