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- ChemComp-NOP: PYRIDOXAL-5'-PHOSPHATE-N-OXIDE -

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Basic information

EntryDatabase: PDB chemical components / ID: NOP
NameName: pyridoxal-5'-phosphate-N-oxide

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Chemical information

Composition
Formula: C8H10NO7P / Number of atoms: 27 / Formula weight: 263.141 / Formal charge: 0
Others

1ase

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: NOP / Model coordinates PDB-ID: 1ASE
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / DrugBank / PubChem / SureChEMBL / 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

ACDLabs 10.04[O-][n+]1cc(c(C=O)c(O)c1C)COP(=O)(O)O
CACTVS 3.341Cc1c(O)c(C=O)c(CO[P](O)(O)=O)c[n+]1[O-]
OpenEye OEToolkits 1.5.0Cc1c(c(c(c[n+]1[O-])COP(=O)(O)O)C=O)O

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SMILES CANONICAL

CACTVS 3.341Cc1c(O)c(C=O)c(CO[P](O)(O)=O)c[n+]1[O-]
OpenEye OEToolkits 1.5.0Cc1c(c(c(c[n+]1[O-])COP(=O)(O)O)C=O)O

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InChI

InChI 1.03InChI=1S/C8H10NO7P/c1-5-8(11)7(3-10)6(2-9(5)12)4-16-17(13,14)15/h2-3,11H,4H2,1H3,(H2,13,14,15)

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InChIKey

InChI 1.03BBWRYPTUKZTWFD-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(4-formyl-5-hydroxy-6-methyl-1-oxidopyridin-3-yl)methyl dihydrogen phosphate
OpenEye OEToolkits 1.5.0(5-hydroxy-4-methanoyl-6-methyl-1-oxido-pyridin-1-ium-3-yl)methyl dihydrogen phosphate

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PDB entries

Showing all 1 items

PDB-1ase:
THE STRUCTURE OF WILD TYPE E. COLI ASPARTATE AMINOTRANSFERASE RECONSTITUTED WITH PLP-N-OXIDE

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