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- ChemComp-LKC: 4-AMINO-1-[(1S,3R,4R,7S)-7-HYDROXY-1-(HYDROXYMETHYL)-2,5-DIOXABIC... -

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Basic information

EntryDatabase: PDB chemical components / ID: LKC
NameName: 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

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Chemical information

Composition
Formula: C11H15N3O5 / Number of atoms: 34 / Formula weight: 269.254 / Formal charge: 0
Others

1h0q

Type: RNA LINKING / PDB classification: ATOMN / One letter code: N / Three letter code: LKC / Model coordinates PDB-ID: 1H0Q
History
Create componentJun 27, 2002
Modify linking typeJun 4, 2011
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04O=C1N=C(N)C(=CN1C3OC2(C(O)C3OC2)CO)C
CACTVS 3.341CC1=CN([CH]2O[C]3(CO)CO[CH]2[CH]3O)C(=O)N=C1N
OpenEye OEToolkits 1.5.0CC1=CN(C(=O)N=C1N)C2C3C(C(O2)(CO3)CO)O

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SMILES CANONICAL

CACTVS 3.341CC1=CN([C@@H]2O[C@@]3(CO)CO[C@@H]2[C@@H]3O)C(=O)N=C1N
OpenEye OEToolkits 1.5.0CC1=CN(C(=O)N=C1N)[C@H]2[C@H]3[C@@H]([C@@](O2)(CO3)CO)O

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InChI

InChI 1.03InChI=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

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InChIKey

InChI 1.03NELYIRACPIJATH-SZVQBCOZSA-N

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SYSTEMATIC NAME

ACDLabs 10.044-amino-1-[2,5-anhydro-4-(hydroxymethyl)-alpha-L-lyxofuranosyl]-5-methylpyrimidin-2(1H)-one
OpenEye OEToolkits 1.5.04-amino-1-[(1R,4S,6R,7S)-7-hydroxy-4-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-6-yl]-5-methyl-pyrimidin-2-one

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PDB entries

Showing all 3 items

PDB-7lne:
ANA modification at 3' end of RNA primer complex with guanosine dinucleotide ligand G(5')ppp(5')G

PDB-7lnf:
3'-deoxy modification at 3' end of RNA primer complex with guanosine dinucleotide ligand G(5')ppp(5')G

PDB-7lng:
TNA modification at 3' end of RNA primer complex with guanosine dinucleotide ligand G(5')ppp(5')G

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