Chemical Components in the PDB

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ALY : Summary

Code

ALY

One-letter code

K

Molecule name

N(6)-ACETYLLYSINE

Systematic names

ProgramVersionName
ACDLabs 10.04 N~6~-acetyl-L-lysine
OpenEye OEToolkits 1.5.0 (2S)-6-acetamido-2-amino-hexanoic acid

Formula

C8 H16 N2 O3

Formal charge

0

Molecular weight

188.224 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(NCCCCC(N)C(=O)O)C
SMILES CACTVS 3.341 CC(=O)NCCCC[CH](N)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 CC(=O)NCCCCC(C(=O)O)N
Canonical SMILES CACTVS 3.341 CC(=O)NCCCC[C@H](N)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 CC(=O)NCCCC[C@@H](C(=O)O)N

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
ALY

wwPDB Information

Atom count

29 (13 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

LYS

Defined at

2000-08-18

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned