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AON : Summary
Code
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AON
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One-letter code
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X
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Molecule name
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5-ALPHA-ANDROSTANE-3-BETA,17-ALPHA-DIOL
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Systematic names
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Formula
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C19 H32 O2
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Formal charge
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0
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Molecular weight
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292.456 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
OC4CC3C(C1C(C2C(C)(CC1)C(O)CC2)CC3)(C)CC4 |
SMILES
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CACTVS |
3.341 |
C[C]12CC[CH]3[CH](CC[CH]4C[CH](O)CC[C]34C)[CH]1CC[CH]2O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CC12CCC(CC1CCC3C2CCC4(C3CCC4O)C)O |
Canonical SMILES
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CACTVS |
3.341 |
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@H]2O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@H]4O)C)O |
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IUPAC InChI | InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12-,13-,14-,15-,16-,17+,18-,19-/m0/s1 |
IUPAC InChI key | CBMYJHIOYJEBSB-MFXFBURESA-N |
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wwPDB Information |
Atom count
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53 (21 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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2002-04-24
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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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