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1,7-dimethylxanthine

PropertiesImage
MNX_IDMNXM758 Image of MNXM758
referencechebi:25858
formulaC7H8N4O2
global charge0
mol weight180.167
InChIKeyQUNWUDVFRNGTCO-UHFFFAOYSA-N
InChIInChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13)
SMILESCN1C=NC2=C1C(=O)N(C)C(=O)N2
MNX internals
InChI (mnx)InChI=1/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13) Image of MNXM758
SMILES (mnx)[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
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)20
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-158687
reactomeM:R-ALL-158687
reactome:R-ALL-76424
reactomeM:R-ALL-76424
CHEBI:25858
chebi:25858
QUNWUDVFRNGTCO-UHFFFAOYSA-N 		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
QUNWUDVFRNGTCO-UHFFFAOYSA-N 		1,7-Dimethylxanthine
Paraxanthine

envipath:...df9c3fd407b0
envipathM:...df9c3fd407b0
QUNWUDVFRNGTCO-UHFFFAOYSA-N 		Paraxanthine
hmdb:HMDB0001860
QUNWUDVFRNGTCO-UHFFFAOYSA-N 		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
QUNWUDVFRNGTCO-UHFFFAOYSA-N 		Paraxanthine
1,7-Dimethylxanthine
1,7-dimethylxanthine
paraxanthine

vmhM:pxthn
vmhmetabolite:pxthn
QUNWUDVFRNGTCO-UHFFFAOYSA-N 		Paraxanthine
1,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

envipath:...a80498a80e4f
envipathM:...a80498a80e4f
QUNWUDVFRNGTCO-UHFFFAOYSA-N 		compound 0062099

metacyc.compound:1-7-DIMETHYLXANTHINE
metacycM:1-7-DIMETHYLXANTHINE
QUNWUDVFRNGTCO-UHFFFAOYSA-N 		paraxanthine
1,7-dimethylxanthine

hmdb:HMDB01860
chebi:34067
keggC:M_C13747
seedM:M_cpd09576
vmhM:M_pxthn 		secondary/obsolete/fantasy identifier