Chem
J-GLOBAL ID：200907043023569362   Nikkaji number：J540.133J

2-Chloro-ATP

2-クロロ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： C10H15ClN5O13P3
Molecular formula furigana： C10-H15-CL-N5-O13-P3
Molecular weight： 541.620
InChI： InChI=1S/C10H15ClN5O13P3/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(18)5(17)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,17-18H,1H2,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21)/t3-,5-,6-,9-/m1/s1
InChI key： RNGCVFCOKZEZFL-UUOKFMHZSA-N
SMILES： Nc1nc(Cl)nc2n(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)：
  • 2-クロロアデノシン5′-三りん酸
  • ({[({[(2R,3S,4R,5R)-5-(6-アミノ-2-クロロ-9H-プリン-9-イル)-3,4-ジヒドロキシオキソラン-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)-5-(6-amino-2-chloro-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
Other name (3)：
  • 2-クロロATP
  • 2-Chloro-ATP
  • 2-Chloroadenosine 5′-triphosphoric acid
CAS registry number： 49564-60-5
Thsaurus map：
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