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- ChemComp-RQX: 2-amino-3-methoxy-6-methyl-5-[(2E)-3-methylhex-2-en-1-yl]cyclohex... -

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Basic information

EntryDatabase: PDB chemical components / ID: RQX
NameName: 2-amino-3-methoxy-6-methyl-5-[(2E)-3-methylhex-2-en-1-yl]cyclohexa-2,5-diene-1,4-dione

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Chemical information

Composition
Formula: C15H21NO3 / Number of atoms: 40 / Formula weight: 263.332 / Formal charge: 0
Others

3vr8

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: RQX / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3VR8
History
Create componentApr 25, 2012
External linksUniChem / ChemSpider / PubChem / 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=C1C(=C(C(=O)C(=C1OC)N)C)C\C=C(/C)CCC
CACTVS 3.370CCCC(C)=CCC1=C(C)C(=O)C(=C(OC)C1=O)N
OpenEye OEToolkits 1.7.6CCCC(=CCC1=C(C(=O)C(=C(C1=O)OC)N)C)C

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SMILES CANONICAL

CACTVS 3.370CCCC(/C)=C/CC1=C(C)C(=O)C(=C(OC)C1=O)N
OpenEye OEToolkits 1.7.6CCC/C(=C/CC1=C(C(=O)C(=C(C1=O)OC)N)C)/C

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InChI

InChI 1.03InChI=1S/C15H21NO3/c1-5-6-9(2)7-8-11-10(3)13(17)12(16)15(19-4)14(11)18/h7H,5-6,8,16H2,1-4H3/b9-7+

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InChIKey

InChI 1.03FKFYBWHBXHCWCD-VQHVLOKHSA-N

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SYSTEMATIC NAME

ACDLabs 12.012-amino-3-methoxy-6-methyl-5-[(2E)-3-methylhex-2-en-1-yl]cyclohexa-2,5-diene-1,4-dione
OpenEye OEToolkits 1.7.62-azanyl-3-methoxy-6-methyl-5-[(E)-3-methylhex-2-enyl]cyclohexa-2,5-diene-1,4-dione

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PDB entries

Showing all 1 items

PDB-3vr8:
Mitochondrial rhodoquinol-fumarate reductase from the parasitic nematode Ascaris suum

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