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- ChemComp-C2Z: 5-(5-hydroxyl-isoxazol-3-yl)-furan-2-phosphonic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: C2Z
NameName: 5-(5-hydroxyl-isoxazol-3-yl)-furan-2-phosphonic acid
Synonyms: [5-(5-hydroxy-1,2-oxazol-3-yl)furan-2-yl]phosphonic acid

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Chemical information

Composition
Formula: C7H6NO6P / Number of atoms: 21 / Formula weight: 231.099 / Formal charge: 0
Others

4zhx

Type: NON-POLYMER / PDB classification: HETAIN / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4ZHX
History
Create componentApr 27, 2015
Modify nameMay 22, 2015
Initial releaseMar 9, 2016
Modify synonymsJun 5, 2020
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

ACDLabs 12.01OP(c1ccc(o1)c2cc(O)on2)(O)=O
CACTVS 3.385Oc1onc(c1)c2oc(cc2)[P](O)(O)=O
OpenEye OEToolkits 1.9.2c1cc(oc1c2cc(on2)O)P(=O)(O)O

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SMILES CANONICAL

CACTVS 3.385Oc1onc(c1)c2oc(cc2)[P](O)(O)=O
OpenEye OEToolkits 1.9.2c1cc(oc1c2cc(on2)O)P(=O)(O)O

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InChI

InChI 1.03InChI=1S/C7H6NO6P/c9-6-3-4(8-14-6)5-1-2-7(13-5)15(10,11)12/h1-3,9H,(H2,10,11,12)

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InChIKey

InChI 1.03BRLJHMCTDKAUAY-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01[5-(5-hydroxy-1,2-oxazol-3-yl)furan-2-yl]phosphonic acid
OpenEye OEToolkits 1.9.2[5-(5-oxidanyl-1,2-oxazol-3-yl)furan-2-yl]phosphonic acid

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PDB entries

Showing all 2 items

PDB-4zhx:
Novel binding site for allosteric activation of AMPK

PDB-5ezv:
X-ray crystal structure of AMP-activated protein kinase alpha-2/alpha-1 RIM chimaera (alpha-2(1-347)/alpha-1(349-401)/alpha-2(397-end) beta-1 gamma-1) co-crystallized with C2 (5-(5-hydroxyl-isoxazol-3-yl)-furan-2-phosphonic acid)

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