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ANM : Summary
Code
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ANM
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One-letter code
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X
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Molecule name
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ANISOMYCIN
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Systematic names
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Formula
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C14 H19 N O4
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Formal charge
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0
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Molecular weight
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265.305 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C(OC1C(NCC1O)Cc2ccc(OC)cc2)C |
SMILES
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CACTVS |
3.341 |
COc1ccc(C[CH]2NC[CH](O)[CH]2OC(C)=O)cc1 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CC(=O)OC1C(CNC1Cc2ccc(cc2)OC)O |
Canonical SMILES
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CACTVS |
3.341 |
COc1ccc(C[C@H]2NC[C@H](O)[C@H]2OC(C)=O)cc1 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
CC(=O)O[C@@H]1[C@H](CN[C@@H]1Cc2ccc(cc2)OC)O |
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IUPAC InChI | InChI=1S/C14H19NO4/c1-9(16)19-14-12(15-8-13(14)17)7-10-3-5-11(18-2)6-4-10/h3-6,12-15,17H,7-8H2,1-2H3/t12-,13+,14+/m1/s1 |
IUPAC InChI key | YKJYKKNCCRKFSL-RDBSUJKOSA-N |
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wwPDB Information |
Atom count
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38 (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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HETAD
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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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2001-10-30
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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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