Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

6CL : Summary

Code

6CL

One-letter code

K

Molecule name

6-CARBOXYLYSINE

Systematic names

ProgramVersionName
ACDLabs 10.04 (1R,5S)-5-amino-1,5-dicarboxypentan-1-aminium
OpenEye OEToolkits 1.5.0 [(2R,6S)-6-amino-1,7-dihydroxy-1,7-dioxo-heptan-2-yl]azanium

Formula

C7 H15 N2 O4

Formal charge

1

Molecular weight

191.205 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C(CCCC(N)C(=O)O)[NH3+]
SMILES CACTVS 3.341 N[CH](CCC[CH]([NH3+])C(O)=O)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 C(CC(C(=O)O)[NH3+])CC(C(=O)O)N
Canonical SMILES CACTVS 3.341 N[C@@H](CCC[C@@H]([NH3+])C(O)=O)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C(C[C@H](C(=O)O)[NH3+])C[C@@H](C(=O)O)N

IUPAC InChI

InChI=1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/p+1/t4-,5+

IUPAC InChI key

GMKMEZVLHJARHF-SYDPRGILSA-O
6CL

wwPDB Information

Atom count

28 (13 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

LYS

Defined at

2005-08-08

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned