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GT0 : Summary
Code ![](/pdbe/static/images/help.png)
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GT0
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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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5-(hydroxymethyl)-4-(methoxymethyl)-2-methylpyridin-3-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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C9 H13 N O3
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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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183.204 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 |
Oc1c(c(cnc1C)CO)COC |
SMILES
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CACTVS |
3.370 |
COCc1c(O)c(C)ncc1CO |
SMILES
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OpenEye OEToolkits |
1.7.6 |
Cc1c(c(c(cn1)CO)COC)O |
Canonical SMILES
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CACTVS |
3.370 |
COCc1c(O)c(C)ncc1CO |
Canonical SMILES
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OpenEye OEToolkits |
1.7.6 |
Cc1c(c(c(cn1)CO)COC)O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C9H13NO3/c1-6-9(12)8(5-13-2)7(4-11)3-10-6/h3,11-12H,4-5H2,1-2H3 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | SVINQHQHARVZFF-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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26 (13 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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2012-04-13
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Last modified at ![](/pdbe/static/images/help.png)
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2020-06-17
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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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