Chemical Components in the PDB

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KCX : Summary

Code

KCX

One-letter code

K

Molecule name

LYSINE NZ-CARBOXYLIC ACID

Systematic names

ProgramVersionName
ACDLabs 12.01 N~6~-carboxy-L-lysine
OpenEye OEToolkits 1.7.0 (2S)-2-azanyl-6-(carboxyamino)hexanoic acid

Formula

C7 H14 N2 O4

Formal charge

0

Molecular weight

190.197 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)NCCCCC(C(=O)O)N
SMILES CACTVS 3.370 N[CH](CCCCNC(O)=O)C(O)=O
SMILES OpenEye OEToolkits 1.7.0 C(CCNC(=O)O)CC(C(=O)O)N
Canonical SMILES CACTVS 3.370 N[C@@H](CCCCNC(O)=O)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.0 C(CCNC(=O)O)C[C@@H](C(=O)O)N

IUPAC InChI

InChI=1S/C7H14N2O4/c8-5(6(10)11)3-1-2-4-9-7(12)13/h5,9H,1-4,8H2,(H,10,11)(H,12,13)/t5-/m0/s1

IUPAC InChI key

PWIKLEYMFKCERQ-YFKPBYRVSA-N
KCX

wwPDB Information

Atom count

27 (13 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

LYS

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned