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LDQ : Summary
Code ![](/pdbe/static/images/help.png)
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LDQ
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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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Hosieine
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Systematic names ![](/pdbe/static/images/help.png)
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Not Assigned
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Formula ![](/pdbe/static/images/help.png)
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C15 H20 N2 O
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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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244.332 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
C[CH]1C[CH]2[CH]3CN4C(=O)C=CC=C4[CH](CN2C)[CH]13 |
SMILES
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OpenEye OEToolkits |
2.0.7 |
CC1CC2C3C1C(CN2C)C4=CC=CC(=O)N4C3 |
Canonical SMILES
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CACTVS |
3.385 |
C[C@@H]1C[C@@H]2[C@H]3CN4C(=O)C=CC=C4[C@@H](CN2C)[C@@H]13 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
C[C@@H]1C[C@@H]2[C@@H]3[C@H]1[C@H](CN2C)C4=CC=CC(=O)N4C3 |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C15H20N2O/c1-9-6-13-11-8-17-12(4-3-5-14(17)18)10(15(9)11)7-16(13)2/h3-5,9-11,13,15H,6-8H2,1-2H3/t9-,10-,11-,13-,15-/m1/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | PDPSDBUFNKLMBE-FPVNZWGXSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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38 (18 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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2019-08-05
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Last modified at ![](/pdbe/static/images/help.png)
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2020-08-21
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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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