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- ChemComp-9L2: (2~{R},3~{S},4~{R},5~{R},6~{R})-5-azanyl-2-(hydroxymethyl)-6-(4-p... -

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Basic information

EntryDatabase: PDB chemical components / ID: 9L2
NameName: (2~{R},3~{S},4~{R},5~{R},6~{R})-5-azanyl-2-(hydroxymethyl)-6-(4-phenyl-1~{H}-imidazol-2-yl)oxane-3,4-diol

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Chemical information

Composition
Formula: C15H19N3O4 / Number of atoms: 41 / Formula weight: 305.329 / Formal charge: 0
Others

5o50

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 9L2 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5O50
History
Create componentMay 31, 2017
Initial releaseSep 27, 2017
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 3.385N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1c2[nH]cc(n2)c3ccccc3
OpenEye OEToolkits 2.0.6c1ccc(cc1)c2c[nH]c(n2)C3C(C(C(C(O3)CO)O)O)N

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SMILES CANONICAL

CACTVS 3.385N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1c2[nH]cc(n2)c3ccccc3
OpenEye OEToolkits 2.0.6c1ccc(cc1)c2c[nH]c(n2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)N

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InChI

InChI 1.03InChI=1S/C15H19N3O4/c16-11-13(21)12(20)10(7-19)22-14(11)15-17-6-9(18-15)8-4-2-1-3-5-8/h1-6,10-14,19-21H,7,16H2,(H,17,18)/t10-,11-,12-,13-,14-/m1/s1

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InChIKey

InChI 1.03XNWVPLWFFIGCKG-DHGKCCLASA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.6(2~{R},3~{S},4~{R},5~{R},6~{R})-5-azanyl-2-(hydroxymethyl)-6-(4-phenyl-1~{H}-imidazol-2-yl)oxane-3,4-diol

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PDB entries

Showing all 1 items

PDB-5o50:
Glycogen Phosphorylase b in complex with 33a

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