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- ChemComp-Y3P: (~{Z})-2-oxidanylbut-2-enedioic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: Y3P
NameName: (~{Z})-2-oxidanylbut-2-enedioic acid

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Chemical information

Composition
Formula: C4H4O5 / Number of atoms: 13 / Formula weight: 132.072 / Formal charge: 0
Others

2fbw

Type: non-polymer / PDB classification: HETAIN / Three letter code: Y3P / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2FBW
History
Create componentFeb 1, 2021
Initial releaseFeb 17, 2021
External linksUniChem / ChemSpider / Brenda / ChEBI / KEGG_Ligand / LipidMaps / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / 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=C(O)C(O)=O
OpenEye OEToolkits 2.0.7C(=C(C(=O)O)O)C(=O)O

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SMILES CANONICAL

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

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InChI

InChI 1.03InChI=1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1,5H,(H,6,7)(H,8,9)/b2-1-

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InChIKey

InChI 1.03UWYVPFMHMJIBHE-UPHRSURJSA-N

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PDB entries

Showing all 3 items

PDB-2fbw:
Avian respiratory complex II with carboxin bound

PDB-6myq:
Avian mitochondrial complex II with ferulenol bound

PDB-7pct:
BurG E232Q mutant (holo) in complex with enol-oxalacetate (15): Biosynthesis of cyclopropanol rings in bacterial toxins

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