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- ChemComp-5NT: 2-azanyl-7-[(2~{S},3~{R},5~{S})-5-(hydroxymethyl)-3-oxidanyl-pyrr... -

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Basic information

EntryDatabase: PDB chemical components / ID: 5NT
NameName: 2-azanyl-7-[(2~{S},3~{R},5~{S})-5-(hydroxymethyl)-3-oxidanyl-pyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

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Chemical information

Composition
Formula: C11H15N5O3 / Number of atoms: 34 / Formula weight: 265.269 / Formal charge: 0
Others

5egr

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 5NT / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5EGR
History
Create componentOct 28, 2015
Initial releaseNov 9, 2016
External linksUniChem / ChemSpider / PubChem / 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 3.385NC1=Nc2c(c[nH]c2C(=O)N1)[CH]3N[CH](CO)C[CH]3O
OpenEye OEToolkits 2.0.4c1c(c2c([nH]1)C(=O)NC(=N2)N)C3C(CC(N3)CO)O

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SMILES CANONICAL

CACTVS 3.385NC1=Nc2c(c[nH]c2C(=O)N1)[C@@H]3N[C@H](CO)C[C@H]3O
OpenEye OEToolkits 2.0.4c1c(c2c([nH]1)C(=O)NC(=N2)N)[C@H]3[C@@H](C[C@H](N3)CO)O

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InChI

InChI 1.03InChI=1S/C11H15N5O3/c12-11-15-8-5(2-13-9(8)10(19)16-11)7-6(18)1-4(3-17)14-7/h2,4,6-7,13-14,17-18H,1,3H2,(H3,12,15,16,19)/t4-,6+,7-/m0/s1

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InChIKey

InChI 1.03ZIWDWRULEXWPGT-JHYUDYDFSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.42-azanyl-7-[(2~{S},3~{R},5~{S})-5-(hydroxymethyl)-3-oxidanyl-pyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

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PDB entries

Showing all 1 items

PDB-5egr:
tRNA guanine transglycosylase (TGT) in complex with an Immucillin derivative

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