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- ChemComp-FAI: 5-(formylamino)-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazo... -

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Basic information

EntryDatabase: PDB chemical components / ID: FAI
NameName: 5-(formylamino)-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazole-4-carboxamide

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Chemical information

Composition
Formula: C10H15N4O9P / Number of atoms: 39 / Formula weight: 366.221 / Formal charge: 0
Others

2r7n

Type: RNA LINKING / PDB classification: ATOMN / One letter code: N / Three letter code: FAI / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2R7N
History
Create componentSep 12, 2007
Modify aromatic flagJun 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=CNc1c(ncn1C2OC(C(O)C2O)COP(=O)(O)O)C(=O)N
CACTVS 3.341NC(=O)c1ncn([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)c1NC=O
OpenEye OEToolkits 1.5.0c1nc(c(n1C2C(C(C(O2)COP(=O)(O)O)O)O)NC=O)C(=O)N

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SMILES CANONICAL

CACTVS 3.341NC(=O)c1ncn([C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O)c1NC=O
OpenEye OEToolkits 1.5.0c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)NC=O)C(=O)N

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InChI

InChI 1.03InChI=1S/C10H15N4O9P/c11-8(18)5-9(13-3-15)14(2-12-5)10-7(17)6(16)4(23-10)1-22-24(19,20)21/h2-4,6-7,10,16-17H,1H2,(H2,11,18)(H,13,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1

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InChIKey

InChI 1.03ABCOOORLYAOBOZ-KQYNXXCUSA-N

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SYSTEMATIC NAME

ACDLabs 10.045-(formylamino)-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazole-4-carboxamide
OpenEye OEToolkits 1.5.0[(2R,3S,4R,5R)-5-(4-aminocarbonyl-5-formamido-imidazol-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate

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PDB entries

Showing all 1 items

PDB-2r7n:
Crystal structure of FAICAR synthetase (PurP) from M. jannaschii complexed with ADP and FAICAR

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