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- ChemComp-4HB: 4,4'-DIHYDROXYBIPHENYL -

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Basic information

EntryDatabase: PDB chemical components / ID: 4HB
NameName: 4,4'-dihydroxybiphenyl

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Chemical information

Composition
Formula: C12H10O2 / Number of atoms: 24 / Formula weight: 186.207 / Formal charge: 0
Others

3zv6

Type: non-polymer / PDB classification: HETAIN / Three letter code: 4HB / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3ZV6
History
Create componentJul 23, 2011
Modify descriptorSep 5, 2014
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / KEGG_Ligand / 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 12.01Oc2ccc(c1ccc(O)cc1)cc2
CACTVS 3.385Oc1ccc(cc1)c2ccc(O)cc2
OpenEye OEToolkits 1.9.2c1cc(ccc1c2ccc(cc2)O)O

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SMILES CANONICAL

CACTVS 3.385Oc1ccc(cc1)c2ccc(O)cc2
OpenEye OEToolkits 1.9.2c1cc(ccc1c2ccc(cc2)O)O

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InChI

InChI 1.03InChI=1S/C12H10O2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8,13-14H

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InChIKey

InChI 1.03VCCBEIPGXKNHFW-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01biphenyl-4,4'-diol
OpenEye OEToolkits 1.9.24-(4-hydroxyphenyl)phenol

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PDB entries

Showing all 1 items

PDB-3zv6:
CRYSTAL STRUCTURE OF CIS-BIPHENYL-2,3-DIHYDRODIOL-2,3-DEHYDROGENASE (BPHB) FROM PANDORAEA PNOMENUSA STRAIN B-356 COMPLEX WITH CO-ENZYME NAD AND PRODUCT ANALOG 4,4'-DIHYDROXYBIPHENYL

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