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MA7

Summary
Name:1N-METHYLADENOSINE-5'-MONOPHOSPHATE
Formula:C11 H17 N5 O6 P
Formal charge:1
Formula weight:346.256 Da
Component type:DNA LINKING

Chemical Identifiers

ProgramVersionName
ACDLabs10.042'-deoxy-1-methyladenosine 5'-(dihydrogen phosphate)
OpenEye OEToolkits1.5.0[(2R,3S,5R)-5-(6-amino-1-methyl-purin-1-ium-9-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=P(O)(O)OCC3OC(n2cnc1c(N)[n+](cnc12)C)CC3O
SMILES_CANONICALCACTVS3.341C[n+]1cnc2n(cnc2c1N)[C@H]3C[C@H](O)[C@@H](CO[P](O)(O)=O)O3
SMILESCACTVS3.341C[n+]1cnc2n(cnc2c1N)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3
SMILES_CANONICALOpenEye OEToolkits1.5.0C[n+]1cnc2c(c1N)ncn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O
SMILESOpenEye OEToolkits1.5.0C[n+]1cnc2c(c1N)ncn2C3CC(C(O3)COP(=O)(O)O)O
InChIInChI1.03InChI=1S/C11H16N5O6P/c1-15-4-14-11-9(10(15)12)13-5-16(11)8-2-6(17)7(22-8)3-21-23(18,19)20/h4-8,12,17H,2-3H2,1H3,(H2,18,19,20)/p+1/t6-,7+,8+/m0/s1
InChIKeyInChI1.03ZADFQQACHTYMIF-XLPZGREQSA-O

223532

數據於2024-08-07公開中

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