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CHEBI:70971 - 7-methylinosine

ChEBI IDCHEBI:70971
ChEBI Name7-methylinosine
Stars
DefinitionA positively charged methylinosine in which a single methyl substituent is located at position 7 on the hypoxanthine ring.
Last Modified16 November 2012
Submittermwilliams
DownloadsMolfile
FormulaC11H15N4O5
Net Charge+1
Average Mass283.264
Monoisotopic Mass283.10370
SMILESCn1c[n+]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ncnc(=O)c21
InChIInChI=1S/C11H14N4O5/c1-14-4-15(9-6(14)10(19)13-3-12-9)11-8(18)7(17)5(2-16)20-11/h3-5,7-8,11,16-18H,2H2,1H3/p+1/t5-,7-,8-,11-/m1/s1
InChIKeyVJNXUFOTKNTNPG-IOSLPCCCSA-O
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
7-methylinosine (CHEBI:70971) has functional parent inosine (CHEBI:17596)
7-methylinosine (CHEBI:70971) has role metabolite (CHEBI:25212)
7-methylinosine (CHEBI:70971) is a inosines (CHEBI:24844)
7-methylinosine (CHEBI:70971) is a organic cation (CHEBI:25697)
IUPAC Names 
7-methyl-7-hydroinosine
9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-7-methyl-6-oxo-6,7-dihydro-3H-purin-9-ium
Manual XrefsDatabases
HMDB0003950HMDB
CPD0-1040MetaCyc
Registry NumbersSources
Reaxys:4007745Reaxys
Reaxys:4157026Reaxys
Citations