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- ChemComp-D6O: (~{Z})-4-formamido-4-oxidanylidene-but-2-enoic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: D6O
NameName: (~{Z})-4-formamido-4-oxidanylidene-but-2-enoic acid

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Chemical information

Composition
Formula: C5H5NO4 / Number of atoms: 15 / Formula weight: 143.097 / Formal charge: 0
Others

6ke8
PDB Unreleased entry

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: D6O / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6KE8
History
Create componentJul 11, 2019
Initial releaseDec 16, 2020
External linksUniChem / ChemSpider / Brenda / ChEBI / KEGG_Ligand / LipidMaps / 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 3.385OC(=O)C=CC(=O)NC=O
OpenEye OEToolkits 2.0.7C(=CC(=O)O)C(=O)NC=O

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SMILES CANONICAL

CACTVS 3.385OC(=O)\C=C/C(=O)NC=O
OpenEye OEToolkits 2.0.7C(=C\C(=O)O)\C(=O)NC=O

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InChI

InChI 1.03InChI=1S/C5H5NO4/c7-3-6-4(8)1-2-5(9)10/h1-3H,(H,9,10)(H,6,7,8)/b2-1-

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InChIKey

InChI 1.03HSKSAKBZUITULZ-UPHRSURJSA-N

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PDB entries

Showing all 1 items

PDB-7cn3:
2,5-dihydroxypridine Dioxygenase in complex with 2,5-dihydroxypridine and product N-formylmaleamic acid

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