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UQ2 : Summary
Code
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UQ2
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One-letter code
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X
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Molecule name
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UBIQUINONE-2
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Systematic names
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Formula
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C19 H26 O4
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Formal charge
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0
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Molecular weight
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318.407 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C1C(=C(C(=O)C(OC)=C1OC)C)C\C=C(/C)CC\C=C(/C)C |
SMILES
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CACTVS |
3.341 |
COC1=C(OC)C(=O)C(=C(C)C1=O)CC=C(C)CCC=C(C)C |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)CCC=C(C)C |
Canonical SMILES
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CACTVS |
3.341 |
COC1=C(OC)C(=O)C(=C(C)C1=O)C\C=C(/C)CCC=C(C)C |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
CC1=C(C(=O)C(=C(C1=O)OC)OC)C\C=C(/C)\CCC=C(C)C |
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IUPAC InChI | InChI=1S/C19H26O4/c1-12(2)8-7-9-13(3)10-11-15-14(4)16(20)18(22-5)19(23-6)17(15)21/h8,10H,7,9,11H2,1-6H3/b13-10+ |
IUPAC InChI key | SQQWBSBBCSFQGC-JLHYYAGUSA-N |
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wwPDB Information |
Atom count
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49 (23 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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1999-07-08
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Last modified at
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2011-06-04
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Status
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Released
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Obsoleted
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Not Assigned
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