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0YF : Summary
Code
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0YF
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One-letter code
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X
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Molecule name
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3-(biphenyl-4-yl)propanoic acid
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Systematic names
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Formula
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C15 H14 O2
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Formal charge
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0
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Molecular weight
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226.27 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
O=C(O)CCc1ccc(cc1)c2ccccc2 |
SMILES
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CACTVS |
3.370 |
OC(=O)CCc1ccc(cc1)c2ccccc2 |
SMILES
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OpenEye OEToolkits |
1.7.6 |
c1ccc(cc1)c2ccc(cc2)CCC(=O)O |
Canonical SMILES
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CACTVS |
3.370 |
OC(=O)CCc1ccc(cc1)c2ccccc2 |
Canonical SMILES
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OpenEye OEToolkits |
1.7.6 |
c1ccc(cc1)c2ccc(cc2)CCC(=O)O |
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IUPAC InChI | InChI=1S/C15H14O2/c16-15(17)11-8-12-6-9-14(10-7-12)13-4-2-1-3-5-13/h1-7,9-10H,8,11H2,(H,16,17) |
IUPAC InChI key | MVFHRQWYCXYYMU-UHFFFAOYSA-N |
Is part of |
EEF
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wwPDB Information |
Atom count
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31 (17 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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2012-09-13
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Last modified at
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2012-09-13
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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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