Chem
J-GLOBAL ID：200907074769988932   Nikkaji number：J580.134F

N-Methyladenosine 5′-triphosphoric acid

N6-メチルATP
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C11H18N5O13P3
Molecular formula furigana： C11-H18-N5-O13-P3
Molecular weight： 521.207
InChI： InChI=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)/t5-,7-,8-,11-/m1/s1
InChI key： LCQWKKZWHQFOAH-IOSLPCCCSA-N
SMILES： CNc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O
Systematic name  (3)：
  • N-メチルアデノシン5′-三りん酸
  • ({[({[(2R,3S,4R,5R)-3,4-ジヒドロキシ-5-[6-(メチルアミノ)-9H-プリン-9-イル]オキソラン-2-イル]メトキシ}(ヒドロキシ)ホスホリル)オキシ](ヒドロキシ)ホスホリル}オキシ)ホスホン酸
  • ({[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(methylamino)-9H-purin-9-yl]oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
Other name (2)：
  • N-Methyladenosine 5′-triphosphoric acid
  • N6-メチルATP
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