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ANB : Summary
Code ![](/pdbe/static/images/help.png)
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ANB
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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ANDROSTA-1,4-DIENE-3,17-DIONE
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C19 H24 O2
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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284.393 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C1C=CC3(C(=C1)CCC4C2CCC(=O)C2(CCC34)C)C |
SMILES
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CACTVS |
3.341 |
C[C]12CC[CH]3[CH](CCC4=CC(=O)C=C[C]34C)[CH]1CCC2=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CC12CCC3C(C1CCC2=O)CCC4=CC(=O)C=CC34C |
Canonical SMILES
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CACTVS |
3.341 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)C=C[C@]34C |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C19H24O2/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/h7,9,11,14-16H,3-6,8,10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | LUJVUUWNAPIQQI-QAGGRKNESA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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45 (21 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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NON-POLYMER
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2001-06-04
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Last modified at ![](/pdbe/static/images/help.png)
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2011-06-04
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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