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- ChemComp-FZT: 5'-O-(N-(L-seryl)-sulfamoyl)N3-methyluridine -

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Basic information

EntryDatabase: PDB chemical components / ID: FZT
NameName: 5'-O-(N-(L-seryl)-sulfamoyl)N3-methyluridine

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Chemical information

Composition
Formula: C13H20N4O10S / Number of atoms: 48 / Formula weight: 424.384 / Formal charge: 0
Others

6he1

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: FZT / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6HE1
History
Create componentAug 20, 2018
Initial releaseDec 4, 2019
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

CACTVS 3.385CN1C(=O)C=CN([CH]2O[CH](CO[S](=O)(=O)NC(=O)[CH](N)CO)[CH](O)[CH]2O)C1=O
OpenEye OEToolkits 2.0.6CN1C(=O)C=CN(C1=O)C2C(C(C(O2)COS(=O)(=O)NC(=O)C(CO)N)O)O

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SMILES CANONICAL

CACTVS 3.385CN1C(=O)C=CN([C@@H]2O[C@H](CO[S](=O)(=O)NC(=O)[C@@H](N)CO)[C@@H](O)[C@H]2O)C1=O
OpenEye OEToolkits 2.0.6CN1C(=O)C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COS(=O)(=O)NC(=O)[C@H](CO)N)O)O

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InChI

InChI 1.03InChI=1S/C13H20N4O10S/c1-16-8(19)2-3-17(13(16)23)12-10(21)9(20)7(27-12)5-26-28(24,25)15-11(22)6(14)4-18/h2-3,6-7,9-10,12,18,20-21H,4-5,14H2,1H3,(H,15,22)/t6-,7+,9+,10+,12+/m0/s1

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InChIKey

InChI 1.03FDYLXUQGMZNPQQ-IXKMEIRJSA-N

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PDB entries

Showing all 3 items

PDB-6he1:
Pseudomonas aeruginosa Seryl-tRNA Synthetase in Complex with 5'-O-(N-(L-seryl)-sulfamoyl)N3-methyluridine

PDB-6hhy:
Klebsiella pneumoniae Seryl-tRNA Synthetase in Complex with 5'-O-(N-(L-seryl)-sulfamoyl)N3-methyluridine

PDB-6rlv:
Trypanosoma brucei Seryl-tRNA Synthetase in Complex with 5'-O-(N-(L-seryl)-sulfamoyl)N3-methyluridine

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