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CAH : Summary
Code
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CAH
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One-letter code
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X
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Molecule name
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5-EXO-HYDROXYCAMPHOR
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Systematic names
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Formula
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C10 H16 O2
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Formal charge
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0
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Molecular weight
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168.233 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C1CC2C(C)(C1(CC2O)C)C |
SMILES
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CACTVS |
3.341 |
CC1(C)[CH]2CC(=O)[C]1(C)C[CH]2O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CC1(C2CC(=O)C1(CC2O)C)C |
Canonical SMILES
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CACTVS |
3.341 |
CC1(C)[C@H]2CC(=O)[C@]1(C)C[C@H]2O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
CC1([C@H]2CC(=O)[C@@]1(C[C@H]2O)C)C |
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IUPAC InChI | InChI=1S/C10H16O2/c1-9(2)6-4-8(12)10(9,3)5-7(6)11/h6-7,11H,4-5H2,1-3H3/t6-,7+,10-/m0/s1 |
IUPAC InChI key | DJQYBVLXBVJHMU-PJKMHFRUSA-N |
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wwPDB Information |
Atom count
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28 (12 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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