LKC

4-AMINO-1-[(1S,3R,4R,7S)-7-HYDROXY-1-(HYDROXYMETHYL)-2,5-DIOXABICYCLO[2.2.1]HEPT-3-YL]-5-METHYLPYRIMIDIN-2(1H)-ONE

Created:	2002-06-27
Last modified:	2011-06-04

Find Related PDB Entry
3 entries where LKC is covalently linked to polymer or other heterogen groups 10 entries where LKC is found in a polymer sequence

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	34
Chiral Atom Count	4
Bond Count	36
Aromatic Bond Count	0

2D diagram of LKC

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	4-AMINO-1-[(1S,3R,4R,7S)-7-HYDROXY-1-(HYDROXYMETHYL)-2,5-DIOXABICYCLO[2.2.1]HEPT-3-YL]-5-METHYLPYRIMIDIN-2(1H)-ONE
Systematic Name (OpenEye OEToolkits)	4-amino-1-[(1R,4S,6R,7S)-7-hydroxy-4-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-6-yl]-5-methyl-pyrimidin-2-one
Formula	C₁₁ H₁₅ N₃ O₅
Molecular Weight	269.254
Type	RNA LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C1N=C(N)C(=CN1C3OC2(C(O)C3OC2)CO)C
SMILES	CACTVS	3.341	CC1=CN([CH]2O[C]3(CO)CO[CH]2[CH]3O)C(=O)N=C1N
SMILES	OpenEye OEToolkits	1.5.0	CC1=CN(C(=O)N=C1N)C2C3C(C(O2)(CO3)CO)O
Canonical SMILES	CACTVS	3.341	CC1=CN([C@@H]2O[C@@]3(CO)CO[C@@H]2[C@@H]3O)C(=O)N=C1N
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC1=CN(C(=O)N=C1N)[C@H]2[C@H]3[C@@H]([C@@](O2)(CO3)CO)O
InChI	InChI	1.03	InChI=1S/C11H15N3O5/c1-5-2-14(10(17)13-8(5)12)9-6-7(16)11(3-15,19-9)4-18-6/h2,6-7,9,15-16H,3-4H2,1H3,(H2,12,13,17)/t6-,7+,9-,11+/m1/s1
InChIKey	InChI	1.03	NELYIRACPIJATH-SZVQBCOZSA-N

Related Resource References

Resource Name	Reference
PubChem	52946596
ChEBI	CHEBI:43697

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.