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VES : Summary
Code
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VES
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One-letter code
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X
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Molecule name
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Pyrrolidine
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Systematic names
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|
Formula
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C4 H9 N
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Formal charge
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0
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Molecular weight
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71.121 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
12.01 |
N1CCCC1 |
SMILES
|
CACTVS |
3.385 |
C1CCNC1 |
SMILES
|
OpenEye OEToolkits |
1.9.2 |
C1CCNC1 |
Canonical SMILES
|
CACTVS |
3.385 |
C1CCNC1 |
Canonical SMILES
|
OpenEye OEToolkits |
1.9.2 |
C1CCNC1 |
|
IUPAC InChI | InChI=1S/C4H9N/c1-2-4-5-3-1/h5H,1-4H2 |
IUPAC InChI key | RWRDLPDLKQPQOW-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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14 (5 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
|
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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2013-04-23
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Last modified at
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2014-09-05
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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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