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6PC : Summary
Code
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6PC
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One-letter code
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X
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Molecule name
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PYRIDINE-2-CARBOXYLIC ACID
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Systematic names
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Formula
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C6 H5 N O2
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Formal charge
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0
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Molecular weight
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123.109 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C(O)c1ncccc1 |
SMILES
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CACTVS |
3.341 |
OC(=O)c1ccccn1 |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
c1ccnc(c1)C(=O)O |
Canonical SMILES
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CACTVS |
3.341 |
OC(=O)c1ccccn1 |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
c1ccnc(c1)C(=O)O |
|
IUPAC InChI | InChI=1S/C6H5NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H,(H,8,9) |
IUPAC InChI key | SIOXPEMLGUPBBT-UHFFFAOYSA-N |
Is part of |
RSZ
, RSY
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|
wwPDB Information |
Atom count
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14 (9 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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2006-05-23
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Last modified at
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2020-06-17
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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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