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LXQ : Summary
Code ![](/pdbe/static/images/help.png)
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LXQ
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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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(3~{R})-1-ethanoylpyrrolidine-3-carboxylic acid
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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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C7 H11 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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157.167 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 |
CC(=O)N1CC[CH](C1)C(O)=O |
SMILES
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OpenEye OEToolkits |
2.0.7 |
CC(=O)N1CCC(C1)C(=O)O |
Canonical SMILES
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CACTVS |
3.385 |
CC(=O)N1CC[C@H](C1)C(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
CC(=O)N1CC[C@H](C1)C(=O)O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C7H11NO3/c1-5(9)8-3-2-6(4-8)7(10)11/h6H,2-4H2,1H3,(H,10,11)/t6-/m1/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | FEQQMBBBBFVNMN-ZCFIWIBFSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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22 (11 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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2019-09-27
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Last modified at ![](/pdbe/static/images/help.png)
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2020-07-24
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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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