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67L : Summary
Code ![](/pdbe/static/images/help.png)
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67L
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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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6-(hydroxymethyl)[2,2'-bipyridin]-4-ol
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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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C11 H10 N2 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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202.209 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 |
c1cccnc1c2cc(O)cc(n2)CO |
SMILES
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CACTVS |
3.385 |
OCc1cc(O)cc(n1)c2ccccn2 |
SMILES
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OpenEye OEToolkits |
2.0.4 |
c1ccnc(c1)c2cc(cc(n2)CO)O |
Canonical SMILES
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CACTVS |
3.385 |
OCc1cc(O)cc(n1)c2ccccn2 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.4 |
c1ccnc(c1)c2cc(cc(n2)CO)O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C11H10N2O2/c14-7-8-5-9(15)6-11(13-8)10-3-1-2-4-12-10/h1-6,14H,7H2,(H,13,15) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | HKHZGZONLACWBE-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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25 (15 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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2016-02-11
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Last modified at ![](/pdbe/static/images/help.png)
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2017-02-10
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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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