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- ChemComp-MAE: MALEIC ACID -

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Basic information

EntryDatabase: PDB chemical components / ID: MAE
NameName: maleic acid

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Chemical information

Composition
Formula: C4H4O4 / Number of atoms: 12 / Formula weight: 116.072 / Formal charge: 0
Others

2cst

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: MAE / Ideal coordinates details: not provided / Model coordinates PDB-ID: 2CST
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DrugBank / GtoPharmacology / HMDB / KEGG_Ligand / Metabolights / NMRShiftDB / 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 10.04O=C(O)\C=C/C(=O)O
CACTVS 3.341OC(=O)C=CC(O)=O
OpenEye OEToolkits 1.5.0C(=CC(=O)O)C(=O)O

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SMILES CANONICAL

CACTVS 3.341OC(=O)\C=C/C(O)=O
OpenEye OEToolkits 1.5.0C(=C/C(=O)O)/C(=O)O

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InChI

InChI 1.03InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1-

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InChIKey

InChI 1.03VZCYOOQTPOCHFL-UPHRSURJSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(2Z)-but-2-enedioic acid
OpenEye OEToolkits 1.5.0but-2-enedioic acid

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