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SNR : Summary
Code ![](/pdbe/static/images/help.png)
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SNR
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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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NORBIOTIN
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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 H14 N2 O3 S
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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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230.284 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=C1NC2C(SCC2N1)CCCC(=O)O |
SMILES
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CACTVS |
3.341 |
OC(=O)CCC[CH]1SC[CH]2NC(=O)N[CH]12 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
C1C2C(C(S1)CCCC(=O)O)NC(=O)N2 |
Canonical SMILES
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CACTVS |
3.341 |
OC(=O)CCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
C1[C@H]2[C@@H]([C@@H](S1)CCCC(=O)O)NC(=O)N2 |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C9H14N2O3S/c12-7(13)3-1-2-6-8-5(4-15-6)10-9(14)11-8/h5-6,8H,1-4H2,(H,12,13)(H2,10,11,14)/t5-,6-,8-/m0/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | AINAXQHKYSZESH-HAFWLYHUSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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29 (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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2002-04-10
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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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