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CLM : Summary
Code 
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CLM
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One-letter code 
|
X
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Molecule name 
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CHLORAMPHENICOL
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Systematic names 
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Formula 
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C11 H12 Cl2 N2 O5
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Formal charge 
|
0
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Molecular weight 
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323.129 Da
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SMILES 
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Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
10.04 |
ClC(Cl)C(=O)NC(C(O)c1ccc([N+]([O-])=O)cc1)CO |
SMILES
|
CACTVS |
3.341 |
OC[CH](NC(=O)C(Cl)Cl)[CH](O)c1ccc(cc1)[N+]([O-])=O |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
c1cc(ccc1C(C(CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-] |
Canonical SMILES
|
CACTVS |
3.341 |
OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc(cc1)[N+]([O-])=O |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-] |
|
IUPAC InChI  | InChI=1S/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)/t8-,9-/m1/s1 |
IUPAC InChI key  | WIIZWVCIJKGZOK-RKDXNWHRSA-N |
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wwPDB Information |
Atom count 
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32 (20 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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