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ROI : Summary
Code ![](/pdbe/static/images/help.png)
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ROI
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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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7,8-DIHYDRO-7,7-DIMETHYL-6-HYDROXYPTERIN
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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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C8 H11 N5 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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209.205 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 |
10.04 |
O=C1C=2N=C(O)C(NC=2N=C(N1)N)(C)C |
SMILES
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CACTVS |
3.341 |
CC1(C)NC2=C(N=C1O)C(=O)NC(=N2)N |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CC1(C(=NC2=C(N1)N=C(NC2=O)N)O)C |
Canonical SMILES
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CACTVS |
3.341 |
CC1(C)NC2=C(N=C1O)C(=O)NC(=N2)N |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
CC1(C(=NC2=C(N1)N=C(NC2=O)N)O)C |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C8H11N5O2/c1-8(2)6(15)10-3-4(13-8)11-7(9)12-5(3)14/h1-2H3,(H,10,15)(H4,9,11,12,13,14) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | JMLQSLXEUWNWFI-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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26 (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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1999-07-08
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Last modified at ![](/pdbe/static/images/help.png)
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2011-06-04
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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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