26A

6N-DIMETHYLADENOSINE

Created:	2005-07-28
Last modified:	2011-06-04

Find Related PDB Entry
2 entries where 26A is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	4
Bond Count	40
Aromatic Bond Count	10

2D diagram of 26A

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	6N-DIMETHYLADENOSINE
Systematic Name (OpenEye OEToolkits)	(2R,3R,4S,5R)-2-(6-dimethylaminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Formula	C₁₂ H₁₇ N₅ O₄
Molecular Weight	295.294
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n2c1c(ncnc1N(C)C)n(c2)C3OC(C(O)C3O)CO
SMILES	CACTVS	3.341	CN(C)c1ncnc2n(cnc12)[CH]3O[CH](CO)[CH](O)[CH]3O
SMILES	OpenEye OEToolkits	1.5.0	CN(C)c1c2c(ncn1)n(cn2)C3C(C(C(O3)CO)O)O
Canonical SMILES	CACTVS	3.341	CN(C)c1ncnc2n(cnc12)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CN(C)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI	InChI	1.03	InChI=1S/C12H17N5O4/c1-16(2)10-7-11(14-4-13-10)17(5-15-7)12-9(20)8(19)6(3-18)21-12/h4-6,8-9,12,18-20H,3H2,1-2H3/t6-,8-,9-,12-/m1/s1
InChIKey	InChI	1.03	WVGPGNPCZPYCLK-WOUKDFQISA-N

Related Resource References

Resource Name	Reference
PubChem	440004
ChEMBL	CHEMBL1229848
ChEBI	CHEBI:28284

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.