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- ChemComp-U9S: (2R,3S)-oxirane-2,3-dicarboxylic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: U9S
NameName: (2R,3S)-oxirane-2,3-dicarboxylic acid / Synonyms: cis-2,3-epoxysuccinic acid

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Chemical information

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

6wsi

Type: non-polymer / PDB classification: HETAIN / Three letter code: U9S / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6WSI
History
Create componentMay 5, 2020
Initial releaseMar 24, 2021
External linksUniChem / ChemSpider / ChEMBL / ChemicalBook / GtoPharmacology / 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

ACDLabs 12.01C(C1C(O1)C(O)=O)(=O)O
CACTVS 3.385OC(=O)[CH]1O[CH]1C(O)=O
OpenEye OEToolkits 2.0.7C1(C(O1)C(=O)O)C(=O)O

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SMILES CANONICAL

CACTVS 3.385OC(=O)[C@H]1O[C@H]1C(O)=O
OpenEye OEToolkits 2.0.7[C@@H]1([C@H](O1)C(=O)O)C(=O)O

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InChI

InChI 1.03InChI=1S/C4H4O5/c5-3(6)1-2(9-1)4(7)8/h1-2H,(H,5,6)(H,7,8)/t1-,2+

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InChIKey

InChI 1.03DCEMCPAKSGRHCN-XIXRPRMCSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(2R,3S)-oxirane-2,3-dicarboxylic acid
OpenEye OEToolkits 2.0.7(2~{R},3~{S})-oxirane-2,3-dicarboxylic acid

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PDB entries

Showing all 3 items

PDB-6wsi:
Intact cis-2,3-epoxysuccinic acid bound to Isocitrate Lyase-1 from Mycobacterium tuberculosis

PDB-8jpn:
Cryo-EM structure of succinate receptor bound to cis-epoxysuccinic acid coupling to Gi

PDB-8wp1:
Cryo-EM structure of SUCR1 in complex with cis-epoxysuccinic acid and Gi proteins

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