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- ChemComp-NXB: (2~{R},3~{R},4~{R},5~{R})-2-[(6-aminopurin-9-yl)methyl]-5-azanyl-... -

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Basic information

EntryDatabase: PDB chemical components / ID: NXB
NameName: (2~{R},3~{R},4~{R},5~{R})-2-[(6-aminopurin-9-yl)methyl]-5-azanyl-oxane-3,4-diol

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Chemical information

Composition
Formula: C11H16N6O3 / Number of atoms: 36 / Formula weight: 280.283 / Formal charge: 0
Others

6tu1

Type: non-polymer / PDB classification: HETAIN / Three letter code: NXB / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6TU1
History
Create componentJan 2, 2020
Initial releaseMar 4, 2020
External linksUniChem / ChemSpider / PubChem / 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 3.385N[CH]1CO[CH](Cn2cnc3c(N)ncnc23)[CH](O)[CH]1O
OpenEye OEToolkits 2.0.7c1nc(c2c(n1)n(cn2)CC3C(C(C(CO3)N)O)O)N

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SMILES CANONICAL

CACTVS 3.385N[C@@H]1CO[C@H](Cn2cnc3c(N)ncnc23)[C@H](O)[C@@H]1O
OpenEye OEToolkits 2.0.7c1nc(c2c(n1)n(cn2)C[C@@H]3[C@@H]([C@@H]([C@@H](CO3)N)O)O)N

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InChI

InChI 1.03InChI=1S/C11H16N6O3/c12-5-2-20-6(9(19)8(5)18)1-17-4-16-7-10(13)14-3-15-11(7)17/h3-6,8-9,18-19H,1-2,12H2,(H2,13,14,15)/t5-,6-,8-,9+/m1/s1

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InChIKey

InChI 1.03YFNWLMALNRKCLH-GCXDCGAKSA-N

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PDB entries

Showing all 1 items

PDB-6tu1:
Crystal structure of the human METTL3-METTL14 complex bound to Compound 8 (ASI_M3M_091)

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