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CHEBI:172872 - N6-methyl-dATP(4−)

ChEBI IDCHEBI:172872
ChEBI NameN6-methyl-dATP(4−)
Stars
ASCII NameN(6)-methyl-dATP(4-)
DefinitionMajor microspecies at pH 7.3.
SubmitterAnne Morgat
DownloadsMolfile
FormulaC11H14N5O12P3
Net Charge-4
Average Mass501.178
Monoisotopic Mass500.98738
SMILESCNc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O1
InChIInChI=1S/C11H18N5O12P3/c1-12-10-9-11(14-4-13-10)16(5-15-9)8-2-6(17)7(26-8)3-25-30(21,22)28-31(23,24)27-29(18,19)20/h4-8,17H,2-3H2,1H3,(H,21,22)(H,23,24)(H,12,13,14)(H2,18,19,20)/p-4/t6-,7+,8+/m0/s1
InChIKeyMALRVWPOKBDVSZ-XLPZGREQSA-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-dATP(4−) (CHEBI:172872) is a purine deoxyribonucleoside triphosphate (CHEBI:26389)
IUPAC Name 
({[(2R,3S,5R)-3-hydroxy-5-[6-(methylamino)-9H-purin-9-yl]oxolan-2-yl]methyl phosphonato}oxy)(phosphonatooxy)phosphinate
UniProt Name  Source
N6-methyl-dATPUniProt