Chemical Components in the PDB

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8RE : Summary

Code

8RE

One-letter code

K

Molecule name

3,4-dihydroxylysine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 (2~{S},3~{R},4~{S})-2,6-bis(azanyl)-3,4-bis(oxidanyl)hexanoic acid

Formula

C6 H14 N2 O4

Formal charge

0

Molecular weight

178.186 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 NCC[CH](O)[CH](O)[CH](N)C(O)=O
SMILES OpenEye OEToolkits 2.0.6 C(CN)C(C(C(C(=O)O)N)O)O
Canonical SMILES CACTVS 3.385 NCC[C@H](O)[C@H](O)[C@H](N)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.6 C(CN)[C@@H]([C@@H]([C@@H](C(=O)O)N)O)O

IUPAC InChI

InChI=1S/C6H14N2O4/c7-2-1-3(9)5(10)4(8)6(11)12/h3-5,9-10H,1-2,7-8H2,(H,11,12)/t3-,4-,5-/m0/s1

IUPAC InChI key

ALWBRQWTMGZSIM-YUPRTTJUSA-N
8RE

wwPDB Information

Atom count

26 (12 without Hydrogen)

Polymer type

Amino Acid

Type description

L-peptide linking

Type code

ATOMP

Is modified

Yes

Standard parent

LYS

Defined at

2017-02-28

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned