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- ChemComp-DG4: phosphono (2S)-2-oxidanyl-3-phosphonooxy-propanoate -

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Basic information

EntryDatabase: PDB chemical components / ID: DG4
NameName: phosphono (2S)-2-oxidanyl-3-phosphonooxy-propanoate / Synonyms: glycerate 1,3-biphosphate

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Chemical information

Composition
Formula: C3H8O10P2 / Number of atoms: 23 / Formula weight: 266.037 / Formal charge: 0
Others

7c5q

Type: non-polymer / PDB classification: HETAIN / Three letter code: DG4 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7C5Q
History
Create componentDec 18, 2008
Modify descriptorJun 4, 2011
Modify model coordinates codeNov 16, 2017
Modify model coordinates codeJun 4, 2020
Modify synonymsJun 4, 2020
Modify synonymsMar 13, 2021
Initial releaseMay 26, 2021
External linksUniChem / ChemSpider / PubChem / 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

CACTVS 3.385O[CH](CO[P](O)(O)=O)C(=O)O[P](O)(O)=O
OpenEye OEToolkits 2.0.7C(C(C(=O)OP(=O)(O)O)O)OP(=O)(O)O

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SMILES CANONICAL

CACTVS 3.385O[C@@H](CO[P](O)(O)=O)C(=O)O[P](O)(O)=O
OpenEye OEToolkits 2.0.7C([C@@H](C(=O)OP(=O)(O)O)O)OP(=O)(O)O

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InChI

InChI 1.03InChI=1S/C3H8O10P2/c4-2(1-12-14(6,7)8)3(5)13-15(9,10)11/h2,4H,1H2,(H2,6,7,8)(H2,9,10,11)/t2-/m0/s1

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InChIKey

InChI 1.03LJQLQCAXBUHEAZ-REOHCLBHSA-N

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PDB entries

Showing all 2 items

PDB-7c5q:
Crystal Structure of H177A mutant Glyceraldehyde-3-phosphate dehydrogenase1 from Escherichia coli complexed with BPG at 2.13 Angstrom resolution

PDB-7c5r:
Crystal Structure of C150S mutant Glyceraldehyde-3-phosphate dehydrogenase1 from Escherichia coli complexed with BPG at 2.31 Angstrom resolution

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