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M3L : Summary
Code ![](/pdbe/static/images/help.png)
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M3L
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One-letter code ![](/pdbe/static/images/help.png)
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K
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Molecule name ![](/pdbe/static/images/help.png)
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N-TRIMETHYLLYSINE
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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 H21 N2 O2
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Formal charge ![](/pdbe/static/images/help.png)
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1
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Molecular weight ![](/pdbe/static/images/help.png)
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189.275 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=C(O)C(N)CCCC[N+](C)(C)C |
SMILES
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CACTVS |
3.341 |
C[N+](C)(C)CCCC[CH](N)C(O)=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
C[N+](C)(C)CCCCC(C(=O)O)N |
Canonical SMILES
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CACTVS |
3.341 |
C[N+](C)(C)CCCC[C@H](N)C(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
C[N+](C)(C)CCCC[C@@H](C(=O)O)N |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/p+1/t8-/m0/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | MXNRLFUSFKVQSK-QMMMGPOBSA-O |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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34 (13 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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Yes
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Standard parent ![](/pdbe/static/images/help.png)
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LYS
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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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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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