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CHEBI:172873 - N6-methyl-ATP(4−)

ChEBI IDCHEBI:172873
ChEBI NameN6-methyl-ATP(4−)
Stars
ASCII NameN(6)-methyl-ATP(4-)
DefinitionMajor microspecies at pH 7.3.
SubmitterAnne Morgat
DownloadsMolfile
FormulaC11H14N5O13P3
Net Charge-4
Average Mass517.177
Monoisotopic Mass516.98229
SMILESCNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O
InChIInChI=1S/C11H18N5O13P3/c1-12-9-6-10(14-3-13-9)16(4-15-6)11-8(18)7(17)5(27-11)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3-5,7-8,11,17-18H,2H2,1H3,(H,22,23)(H,24,25)(H,12,13,14)(H2,19,20,21)/p-4/t5-,7-,8-,11-/m1/s1
InChIKeyLCQWKKZWHQFOAH-IOSLPCCCSA-J
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
N6-methyl-ATP(4−) (CHEBI:172873) is a purine ribonucleoside triphosphate (CHEBI:26398)
IUPAC Name 
({[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(methylamino)-9H-purin-9-yl]oxolan-2-yl]methyl phosphonato}oxy)(phosphonatooxy)phosphinate
UniProt Name  Source
N6-methyl-ATPUniProt