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RF9 : Summary
Code ![](/pdbe/static/images/help.png)
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RF9
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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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N~6~-[(1R)-1-carboxyethyl]-L-lysine
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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 H18 N2 O4
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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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218.25 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 |
NC(CCCCNC(C)C(O)=O)C(O)=O |
SMILES
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CACTVS |
3.385 |
C[CH](NCCCC[CH](N)C(O)=O)C(O)=O |
SMILES
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OpenEye OEToolkits |
2.0.7 |
CC(C(=O)O)NCCCCC(C(=O)O)N |
Canonical SMILES
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CACTVS |
3.385 |
C[C@@H](NCCCC[C@H](N)C(O)=O)C(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
C[C@H](C(=O)O)NCCCC[C@@H](C(=O)O)N |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C9H18N2O4/c1-6(8(12)13)11-5-3-2-4-7(10)9(14)15/h6-7,11H,2-5,10H2,1H3,(H,12,13)(H,14,15)/t6-,7+/m1/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | XCYPSOHOIAZISD-RQJHMYQMSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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33 (15 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Amino Acid
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Type description ![](/pdbe/static/images/help.png)
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L-peptide linking
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Type code ![](/pdbe/static/images/help.png)
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ATOMP
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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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2019-02-05
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Last modified at ![](/pdbe/static/images/help.png)
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2023-11-03
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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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