MA6

6N-DIMETHYLADENOSINE-5'-MONOPHOSHATE

Created: 1999-07-08
Last modified:  2024-03-27

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Chemical Details

Formal Charge0
Atom Count43
Chiral Atom Count4
Bond Count45
Aromatic Bond Count10
2D diagram of MA6

Chemical Component Summary

Name6N-DIMETHYLADENOSINE-5'-MONOPHOSHATE
Systematic Name (OpenEye OEToolkits)[(2~{R},3~{S},4~{R},5~{R})-5-[6-(dimethylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
FormulaC12 H18 N5 O7 P
Molecular Weight375.274
TypeRNA LINKING

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01CN(C)c1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O
SMILESCACTVS3.385CN(C)c1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
SMILESOpenEye OEToolkits2.0.7CN(C)c1c2c(ncn1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O
Canonical SMILESCACTVS3.385 CN(C)c1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
Canonical SMILESOpenEye OEToolkits2.0.7 CN(C)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O
InChIInChI1.06 InChI=1S/C12H18N5O7P/c1-16(2)10-7-11(14-4-13-10)17(5-15-7)12-9(19)8(18)6(24-12)3-23-25(20,21)22/h4-6,8-9,12,18-19H,3H2,1-2H3,(H2,20,21,22)/t6-,8-,9-,12-/m1/s1
InChIKeyInChI1.06 OWRDTHWSVNWFAZ-WOUKDFQISA-N

Related Resource References

Resource NameReference
PubChem 44199361
ChEMBL CHEMBL1234197
ChEBI CHEBI:43986