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- ChemComp-GG6: [(1S,2S)-1,2-DIHYDROXYPROPYL]PHOSPHONIC ACID -

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Basic information

EntryDatabase: PDB chemical components / ID: GG6
NameName: [(1S,2S)-1,2-dihydroxypropyl]phosphonic acid

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Chemical information

Composition
Formula: C3H9O5P / Number of atoms: 18 / Formula weight: 156.074 / Formal charge: 0
OthersType: NON-POLYMER / PDB classification: HETAIN / Three letter code: GG6 / Ideal coordinates details: OpenEye OEToolkits
History
Create componentMar 21, 2007
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / ChEBI / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / 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 10.04O=P(O)(O)C(O)C(O)C
CACTVS 3.341C[CH](O)[CH](O)[P](O)(O)=O
OpenEye OEToolkits 1.5.0CC(C(O)P(=O)(O)O)O

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SMILES CANONICAL

CACTVS 3.341C[C@H](O)[C@@H](O)[P](O)(O)=O
OpenEye OEToolkits 1.5.0C[C@@H]([C@@H](O)P(=O)(O)O)O

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InChI

InChI 1.03InChI=1S/C3H9O5P/c1-2(4)3(5)9(6,7)8/h2-5H,1H3,(H2,6,7,8)/t2-,3-/m0/s1

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InChIKey

InChI 1.03MXMXXUIOCREOTJ-HRFVKAFMSA-N

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SYSTEMATIC NAME

ACDLabs 10.04[(1S,2S)-1,2-dihydroxypropyl]phosphonic acid
OpenEye OEToolkits 1.5.0[(1S,2S)-1,2-dihydroxypropyl]phosphonic acid

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PDB entries

Showing all 2 items

PDB-2p7q:
Crystal structure of E126Q mutant of genomically encoded fosfomycin resistance protein, FosX, from Listeria monocytogenes complexed with MN(II) and 1S,2S-dihydroxypropylphosphonic acid

PDB-2rl2:
Crystal structure of UDP-N-acetylglucosamine enolpyruvyl transferase from Haemophilus influenzae in complex with UDP-N-acetylglucosamine and fosfomycin

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