2MA
Summary
Name: | 2-METHYLADENOSINE-5'-MONOPHOSPHATE |
Formula: | C11 H16 N5 O7 P |
Formal charge: | 0 |
Formula weight: | 361.248 Da |
Component type: | RNA LINKING |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | 2-methyladenosine 5'-(dihydrogen phosphate) |
OpenEye OEToolkits | 1.5.0 | [(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-imino-2-methyl-1H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=P(O)(O)OCC3OC(n2cnc1c2N=C(NC1=[N@H])C)C(O)C3O |
SMILES_CANONICAL | CACTVS | 3.341 | CC1=Nc2n(cnc2C(=N)N1)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O |
SMILES | CACTVS | 3.341 | CC1=Nc2n(cnc2C(=N)N1)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC1=Nc2c(ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)C(=N)N1 |
SMILES | OpenEye OEToolkits | 1.5.0 | CC1=Nc2c(ncn2C3C(C(C(O3)COP(=O)(O)O)O)O)C(=N)N1 |
InChI | InChI | 1.03 | InChI=1S/C11H16N5O7P/c1-4-14-9(12)6-10(15-4)16(3-13-6)11-8(18)7(17)5(23-11)2-22-24(19,20)21/h3,5,7-8,11,17-18H,2H2,1H3,(H2,12,14,15)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1 |
InChIKey | InChI | 1.03 | DEYSCYWEHGTTSA-IOSLPCCCSA-N |