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- ChemComp-OJI: (2R,3R,4S,5R)-2-(2-azanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol -

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Basic information

EntryDatabase: PDB chemical components / ID: OJI
NameName: (2R,3R,4S,5R)-2-(2-azanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

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Chemical information

Composition
Formula: C10H13N5O4 / Number of atoms: 32 / Formula weight: 267.241 / Formal charge: 0
Others

8i7n

Type: non-polymer / PDB classification: HETAIN / Three letter code: OJI / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8I7N
History
Create componentFeb 7, 2023
Initial releaseMar 29, 2023
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEMBL / ChemicalBook / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385Nc1ncc2ncn([CH]3O[CH](CO)[CH](O)[CH]3O)c2n1
OpenEye OEToolkits 2.0.7c1c2c(nc(n1)N)n(cn2)C3C(C(C(O3)CO)O)O

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SMILES CANONICAL

CACTVS 3.385Nc1ncc2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
OpenEye OEToolkits 2.0.7c1c2c(nc(n1)N)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O

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InChI

InChI 1.06InChI=1S/C10H13N5O4/c11-10-12-1-4-8(14-10)15(3-13-4)9-7(18)6(17)5(2-16)19-9/h1,3,5-7,9,16-18H,2H2,(H2,11,12,14)/t5-,6-,7-,9-/m1/s1

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InChIKey

InChI 1.06JVOJULURLCZUDE-JXOAFFINSA-N

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PDB entries

Showing all 1 items

PDB-8i7n:
The Tet-S1 state of G264A mutated Tetrahymena group I intron with 6nt 3'/5'-exon and 2-aminopurine nucleoside

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