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- ChemComp-74I: (Z)-2,3-bis(oxidanyl)prop-2-enoic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: 74I
NameName: (Z)-2,3-bis(oxidanyl)prop-2-enoic acid
Synonyms: 2,3-dihydroxyacrylic acid; 2,3-dihydroxyprop-2-enoic acid; 67573738

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Chemical information

Composition
Formula: C3H4O4 / Number of atoms: 11 / Formula weight: 104.061 / Formal charge: 0
Others

7pci

Type: non-polymer / PDB classification: HETAIN / Three letter code: 74I / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7PCI
History
Create componentAug 4, 2021
Initial releaseAug 10, 2022
External linksUniChem / ChemSpider / ChEBI / Nikkaji / PubChem / 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=C(O)C(O)=O
OpenEye OEToolkits 2.0.7C(=C(C(=O)O)O)O

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SMILES CANONICAL

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

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InChI

InChI 1.03InChI=1S/C3H4O4/c4-1-2(5)3(6)7/h1,4-5H,(H,6,7)/b2-1-

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InChIKey

InChI 1.03XHDBNNIXWWTOFN-UPHRSURJSA-N

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PDB entries

Showing all 1 items

PDB-7pci:
BurG (holo) in complex with hydroxypyruvate-enol (8): Biosynthesis of cyclopropanol rings in bacterial toxins

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