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- ChemComp-EOW: (6-but-3-ynyl-4-methyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen ... -

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Basic information

EntryDatabase: PDB chemical components / ID: EOW
NameName: (6-but-3-ynyl-4-methyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate

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Chemical information

Composition
Formula: C11H14NO5P / Number of atoms: 32 / Formula weight: 271.206 / Formal charge: 0
Others

6g58

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: EOW / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6G58
History
Create componentApr 5, 2018
Initial releaseMay 30, 2018
External linksUniChem / ChemSpider / PubChem / 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 3.385Cc1c(O)c(CCC#C)ncc1CO[P](O)(O)=O
OpenEye OEToolkits 2.0.6Cc1c(cnc(c1O)CCC#C)COP(=O)(O)O

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SMILES CANONICAL

CACTVS 3.385Cc1c(O)c(CCC#C)ncc1CO[P](O)(O)=O
OpenEye OEToolkits 2.0.6Cc1c(cnc(c1O)CCC#C)COP(=O)(O)O

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InChI

InChI 1.03InChI=1S/C11H14NO5P/c1-3-4-5-10-11(13)8(2)9(6-12-10)7-17-18(14,15)16/h1,6,13H,4-5,7H2,2H3,(H2,14,15,16)

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InChIKey

InChI 1.03HYSIPFHNUDKCJU-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.6(6-but-3-ynyl-4-methyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate

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PDB entries

Showing all 1 items

PDB-6g58:
Structure of the alanine racemase from Staphylococcus aureus in complex with a pyridoxal 5' phosphate-derivative

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