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1-methyl-7H-xanthine

MNXM1975 is deprecated and here replaced by MNXM1106901
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1106901 Image of MNXM1106901
referencechebi:68444
formulaC6H6N4O2
global charge0
mol weight166.14
InChIKeyMVOYJPOZRLFTCP-UHFFFAOYSA-N
InChIInChI=1S/C6H6N4O2/c1-10-5(11)3-4(8-2-7-3)9-6(10)12/h2H,1H3,(H,7,8)(H,9,12)
SMILESCN1C(=O)NC2=C(NC=N2)C1=O
MNX internals
InChI (mnx)InChI=1/C6H6N4O2/c1-10-5(11)3-4(8-2-7-3)9-6(10)12/h2H,1H3,(H,7,8)(H,9,12) Image of MNXM1106901
SMILES (mnx)[CH3:1][N:10]1[C:5](=[O:11])[C:3]2=[C:4]([NH:8][CH:2]=[N:7]2)[N:9]=[C:6]1[OH:12]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)13
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:68444
chebi:68444
MVOYJPOZRLFTCP-UHFFFAOYSA-N 		1-methyl-7H-xanthine
1-methyl-3,7-dihydro-1H-purine-2,6-dione

envipath:...c3dfc58d0df9
envipathM:...c3dfc58d0df9
kegg.compound:C16358
keggC:C16358
MVOYJPOZRLFTCP-UHFFFAOYSA-N 		1-Methylxanthine
hmdb:HMDB0010738
MVOYJPOZRLFTCP-UHFFFAOYSA-N 		1-Methylxanthine
1-methylxanthine
2-hydroxy-1-methyl-6,9-dihydro-1H-purin-6-one

seed.compound:cpd15074
seedM:cpd15074
MVOYJPOZRLFTCP-UHFFFAOYSA-N 		1-Methylxanthine
1-methylxanthine
Purine analog
methylxanthine

vmhM:1mxnthn
vmhmetabolite:1mxnthn
MVOYJPOZRLFTCP-UHFFFAOYSA-N 		1-Methylxanthine
2-hydroxy-1-methyl-6,9-dihydro-1H-purin-6-one

metacyc.compound:CPD-9025
metacycM:CPD-9025
MVOYJPOZRLFTCP-UHFFFAOYSA-N 		1-methylxanthine
Purine analog
methylxanthine

envipath:...abefa1c31979
envipathM:...abefa1c31979
MVOYJPOZRLFTCP-UHFFFAOYSA-N 		compound 0062105

hmdb:HMDB10738
keggC:M_C16358
seedM:M_cpd15074
vmhM:M_1mxnthn 		secondary/obsolete/fantasy identifier