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- ChemComp-0V5: (2R)-2-(phosphonooxy)propanoic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: 0V5
NameName: (2R)-2-(phosphonooxy)propanoic acid

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Chemical information

Composition
Formula: C3H7O6P / Number of atoms: 17 / Formula weight: 170.058 / Formal charge: 0
Others

3ujs

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 0V5 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3UJS
History
Create componentJun 29, 2012
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 12.01O=P(OC(C(=O)O)C)(O)O
CACTVS 3.370C[CH](O[P](O)(O)=O)C(O)=O
OpenEye OEToolkits 1.7.6CC(C(=O)O)OP(=O)(O)O

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SMILES CANONICAL

CACTVS 3.370C[C@@H](O[P](O)(O)=O)C(O)=O
OpenEye OEToolkits 1.7.6C[C@H](C(=O)O)OP(=O)(O)O

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InChI

InChI 1.03InChI=1S/C3H7O6P/c1-2(3(4)5)9-10(6,7)8/h2H,1H3,(H,4,5)(H2,6,7,8)/t2-/m1/s1

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InChIKey

InChI 1.03CSZRNWHGZPKNKY-UWTATZPHSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(2R)-2-(phosphonooxy)propanoic acid
OpenEye OEToolkits 1.7.6(2R)-2-phosphonooxypropanoic acid

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PDB entries

Showing all 6 items

PDB-3ujs:
Asymmetric complex of human neuron specific enolase-6-PGA/PEP

PDB-4umb:
Structural analysis of substrate-mimicking inhibitors in complex with Neisseria meningitidis 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase - the importance of accommodating the active site water

PDB-5u4h:
1.05 Angstrom Resolution Crystal Structure of UDP-N-acetylglucosamine 1-carboxyvinyltransferase from Acinetobacter baumannii in Covalently Bound Complex with (2R)-2-(phosphonooxy)propanoic Acid.

PDB-5wi5:
2.0 Angstrom Resolution Crystal Structure of UDP-N-acetylglucosamine 1-carboxyvinyltransferase from Streptococcus pneumoniae in Complex with Uridine-diphosphate-2(n-acetylglucosaminyl) butyric acid, (2R)-2-(phosphonooxy)propanoic acid and Magnesium.

PDB-6cn1:
2.75 Angstrom Resolution Crystal Structure of UDP-N-acetylglucosamine 1-carboxyvinyltransferase from Pseudomonas putida in Complex with Uridine-diphosphate-2(n-acetylglucosaminyl) butyric acid, (2R)-2-(phosphonooxy)propanoic acid and Magnesium

PDB-6nkj:
1.3 Angstrom Resolution Crystal Structure of UDP-N-acetylglucosamine 1-carboxyvinyltransferase from Streptococcus pneumoniae in Complex with (2R)-2-(phosphonooxy)propanoic acid.

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