B62

(6R)-2-amino-6-methyl-5,6,7,8-tetrahydropteridin-4(3H)-one

Created:	2009-04-24
Last modified:	2011-06-04

Find Related PDB Entry
2 entries where B62 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	24
Chiral Atom Count	1
Bond Count	25
Aromatic Bond Count	0

2D diagram of B62

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	(6R)-2-amino-6-methyl-5,6,7,8-tetrahydropteridin-4(3H)-one
Systematic Name (OpenEye OEToolkits)	(6R)-2-amino-6-methyl-5,6,7,8-tetrahydro-3H-pteridin-4-one
Formula	C₇ H₁₁ N₅ O
Molecular Weight	181.195
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C1C=2NC(CNC=2N=C(N1)N)C
SMILES	CACTVS	3.341	C[CH]1CNC2=C(N1)C(=O)NC(=N2)N
SMILES	OpenEye OEToolkits	1.5.0	CC1CNC2=C(N1)C(=O)NC(=N2)N
Canonical SMILES	CACTVS	3.341	C[C@@H]1CNC2=C(N1)C(=O)NC(=N2)N
Canonical SMILES	OpenEye OEToolkits	1.5.0	C[C@@H]1CNC2=C(N1)C(=O)NC(=N2)N
InChI	InChI	1.03	InChI=1S/C7H11N5O/c1-3-2-9-5-4(10-3)6(13)12-7(8)11-5/h3,10H,2H2,1H3,(H4,8,9,11,12,13)/t3-/m1/s1
InChIKey	InChI	1.03	HWOZEJJVUCALGB-GSVOUGTGSA-N

Related Resource References

Resource Name	Reference
PubChem	135564796, 25789549

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.