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- ChemComp-FGR: N-(N-FORMYLGLYCYL)-5-O-PHOSPHONO-BETA-D-RIBOFURANOSYLAMINE -

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Basic information

EntryDatabase: PDB chemical components / ID: FGR
NameName: N-(N-formylglycyl)-5-O-phosphono-beta-D-ribofuranosylamine

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Chemical information

Composition
Formula: C8H15N2O9P / Number of atoms: 35 / Formula weight: 314.186 / Formal charge: 0
Others

2hs3

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: FGR / Model coordinates PDB-ID: 2HS3
History
Create componentJul 26, 2006
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Brenda / HMDB / KEGG_Ligand / Nikkaji / PubChem / SureChEMBL / 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=C(NC1OC(C(O)C1O)COP(=O)(O)O)CNC=O
CACTVS 3.341O[CH]1[CH](O)[CH](NC(=O)CNC=O)O[CH]1CO[P](O)(O)=O
OpenEye OEToolkits 1.5.0C(C1C(C(C(O1)NC(=O)CNC=O)O)O)OP(=O)(O)O

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SMILES CANONICAL

CACTVS 3.341O[C@H]1[C@@H](O)[C@H](NC(=O)CNC=O)O[C@@H]1CO[P](O)(O)=O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@H]([C@@H](O1)NC(=O)CNC=O)O)O)OP(=O)(O)O

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InChI

InChI 1.03InChI=1S/C8H15N2O9P/c11-3-9-1-5(12)10-8-7(14)6(13)4(19-8)2-18-20(15,16)17/h3-4,6-8,13-14H,1-2H2,(H,9,11)(H,10,12)(H2,15,16,17)/t4-,6-,7-,8-/m1/s1

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InChIKey

InChI 1.03VDXLUNDMVKSKHO-XVFCMESISA-N

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SYSTEMATIC NAME

ACDLabs 10.04N-(N-formylglycyl)-5-O-phosphono-beta-D-ribofuranosylamine
OpenEye OEToolkits 1.5.0[(2R,3S,4R,5R)-5-(2-formamidoethanoylamino)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate

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PDB entries

Showing all 4 items

PDB-2hs3:
T. maritima PurL complexed with FGAR

PDB-2hs4:
T. maritima PurL complexed with FGAR and AMPPCP

PDB-9k05:
Crystal structure of Pyrococcus abyssi AIR synthetase N186A mutant bound to FGAR and AMP

PDB-9nb3:
Cryo-EM structure of quaternary complex of human phosphoribosylglycinamidine synthase with thioester intermediate bound (at glutaminase site) and AMPPNP and FGAR (at synthase site).

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