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- ChemComp-OID: 10-(1H-imidazol-1-yl)decanoic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: OID
NameName: 10-(1H-imidazol-1-yl)decanoic acid / Synonyms: 10-imidazolyl-decanoic acid

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Chemical information

Composition
Formula: C13H22N2O2 / Number of atoms: 39 / Formula weight: 238.326 / Formal charge: 0
Others

3gph

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: OID / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3GPH
History
Create componentMar 27, 2009
Modify aromatic flagJun 4, 2011
Modify descriptorJun 4, 2011
Modify synonymsJun 5, 2020
External linksUniChem / ChemSpider / BindingDB / Brenda / Nikkaji / PubChem / 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)CCCCCCCCCn1ccnc1
CACTVS 3.341OC(=O)CCCCCCCCCn1ccnc1
OpenEye OEToolkits 1.5.0c1cn(cn1)CCCCCCCCCC(=O)O

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SMILES CANONICAL

CACTVS 3.341OC(=O)CCCCCCCCCn1ccnc1
OpenEye OEToolkits 1.5.0c1cn(cn1)CCCCCCCCCC(=O)O

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InChI

InChI 1.03InChI=1S/C13H22N2O2/c16-13(17)8-6-4-2-1-3-5-7-10-15-11-9-14-12-15/h9,11-12H,1-8,10H2,(H,16,17)

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InChIKey

InChI 1.03DOJPUPKORVKCJK-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.0410-(1H-imidazol-1-yl)decanoic acid
OpenEye OEToolkits 1.5.010-imidazol-1-yldecanoic acid

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PDB entries

Showing all 1 items

PDB-3gph:
Human cytochrome P450 2E1 in complex with omega-imidazolyl-decanoic acid

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