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E01 : Summary
Code ![](/pdbe/static/images/help.png)
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E01
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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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(1r,1'S,3'S,5'S,7'S)-spiro[cyclohexane-1,2'-tricyclo[3.3.1.1~3,7~]decan]-4-amine
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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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C15 H25 N
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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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219.366 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 |
12.01 |
C1(CCC2(CC1)C3CC4CC2CC(C3)C4)N |
SMILES
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CACTVS |
3.385 |
NC1CCC2(CC1)C3CC4CC(C3)CC2C4 |
SMILES
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OpenEye OEToolkits |
2.0.6 |
C1CC2(CCC1N)C3CC4CC(C3)CC2C4 |
Canonical SMILES
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CACTVS |
3.385 |
NC1CCC2(CC1)C3CC4CC(C3)CC2C4 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
C1CC2(CCC1N)C3CC4CC(C3)CC2C4 |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C15H25N/c16-14-1-3-15(4-2-14)12-6-10-5-11(8-12)9-13(15)7-10/h10-14H,1-9,16H2/t10-,11+,12-,13+,14-,15- |
IUPAC InChI key ![](/pdbe/static/images/help.png) | VNTMIVFMVGTSHV-RLUXGHLOSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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41 (16 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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2017-11-20
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Last modified at ![](/pdbe/static/images/help.png)
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2018-09-14
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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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