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- ChemComp-SIN: SUCCINIC ACID -

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Basic information

EntryDatabase: PDB chemical components / ID: SIN
NameName: succinic acid

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Chemical information

Composition
Formula: C4H6O4 / Number of atoms: 14 / Formula weight: 118.088 / Formal charge: 0
Others

3bif

Type: NON-POLYMER / PDB classification: ATOMP / Three letter code: SIN / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3BIF
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DailyMed / DrugBank / GtoPharmacology / HMDB / KEGG_Ligand / LipidMaps / 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 12.01O=C(O)CCC(=O)O
CACTVS 3.370OC(=O)CCC(O)=O
OpenEye OEToolkits 1.7.0C(CC(=O)O)C(=O)O

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SMILES CANONICAL

CACTVS 3.370OC(=O)CCC(O)=O
OpenEye OEToolkits 1.7.0C(CC(=O)O)C(=O)O

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InChI

InChI 1.03InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)

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InChIKey

InChI 1.03KDYFGRWQOYBRFD-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01butanedioic acid
OpenEye OEToolkits 1.7.0butanedioic acid

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