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ALY : Summary
Code
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ALY
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One-letter code
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K
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Molecule name
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N(6)-ACETYLLYSINE
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Systematic names
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Formula
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C8 H16 N2 O3
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Formal charge
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0
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Molecular weight
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188.224 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C(NCCCCC(N)C(=O)O)C |
SMILES
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CACTVS |
3.341 |
CC(=O)NCCCC[CH](N)C(O)=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CC(=O)NCCCCC(C(=O)O)N |
Canonical SMILES
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CACTVS |
3.341 |
CC(=O)NCCCC[C@H](N)C(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
CC(=O)NCCCC[C@@H](C(=O)O)N |
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IUPAC InChI | InChI=1S/C8H16N2O3/c1-6(11)10-5-3-2-4-7(9)8(12)13/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1 |
IUPAC InChI key | DTERQYGMUDWYAZ-ZETCQYMHSA-N |
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wwPDB Information |
Atom count
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29 (13 without Hydrogen)
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Polymer type
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Amino Acid
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Type description
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L-PEPTIDE LINKING
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Type code
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ATOMP
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Is modified
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Yes
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Standard parent
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LYS
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Defined at
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2000-08-18
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Last modified at
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2023-11-03
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Status
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Released
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Obsoleted
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Not Assigned
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