MA6
6N-DIMETHYLADENOSINE-5'-MONOPHOSHATE
Created: | 1999-07-08 |
Last modified: | 2024-03-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 43 |
Chiral Atom Count | 4 |
Bond Count | 45 |
Aromatic Bond Count | 10 |
Chemical Component Summary | |
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Name | 6N-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 |
Formula | C12 H18 N5 O7 P |
Molecular Weight | 375.274 |
Type | RNA LINKING |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CN(C)c1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O |
SMILES | CACTVS | 3.385 | CN(C)c1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O |
SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)c1c2c(ncn1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O |
Canonical SMILES | CACTVS | 3.385 | CN(C)c1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O |
InChI | InChI | 1.06 | 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 |
InChIKey | InChI | 1.06 | OWRDTHWSVNWFAZ-WOUKDFQISA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 44199361 |
ChEMBL | CHEMBL1234197 |
ChEBI | CHEBI:43986 |