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JGE : Summary
Code
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JGE
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One-letter code
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X
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Molecule name
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(R)-Ketoprofen
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Systematic names
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Formula
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C16 H14 O3
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Formal charge
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0
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Molecular weight
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254.281 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
C[CH](C(O)=O)c1cccc(c1)C(=O)c2ccccc2 |
SMILES
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OpenEye OEToolkits |
2.0.7 |
CC(c1cccc(c1)C(=O)c2ccccc2)C(=O)O |
Canonical SMILES
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CACTVS |
3.385 |
C[C@@H](C(O)=O)c1cccc(c1)C(=O)c2ccccc2 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
C[C@H](c1cccc(c1)C(=O)c2ccccc2)C(=O)O |
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IUPAC InChI | InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)/t11-/m1/s1 |
IUPAC InChI key | DKYWVDODHFEZIM-LLVKDONJSA-N |
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wwPDB Information |
Atom count
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33 (19 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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2019-02-20
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Last modified at
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2019-09-06
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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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