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- ChemComp-ZGC: 3-(4-methoxyphenyl)propanoic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: ZGC
NameName: 3-(4-methoxyphenyl)propanoic acid

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Chemical information

Composition
Formula: C10H12O3 / Number of atoms: 25 / Formula weight: 180.2 / Formal charge: 0
Others

3p6e

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: ZGC / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3P6E
History
Create componentNov 15, 2010
Modify aromatic flagJun 4, 2011
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Brenda / ChEMBL / ChemicalBook / 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)CCc1ccc(OC)cc1
CACTVS 3.370COc1ccc(CCC(O)=O)cc1
OpenEye OEToolkits 1.7.0COc1ccc(cc1)CCC(=O)O

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SMILES CANONICAL

CACTVS 3.370COc1ccc(CCC(O)=O)cc1
OpenEye OEToolkits 1.7.0COc1ccc(cc1)CCC(=O)O

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InChI

InChI 1.03InChI=1S/C10H12O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-3,5-6H,4,7H2,1H3,(H,11,12)

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InChIKey

InChI 1.03FIUFLISGGHNPSM-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.013-(4-methoxyphenyl)propanoic acid
OpenEye OEToolkits 1.7.03-(4-methoxyphenyl)propanoic acid

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PDB entries

Showing all 1 items

PDB-3p6e:
Human adipocyte lipid-binding protein FABP4 in complex with 3-(4-methoxyphenyl) propionic acid

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