Chemical Components in the PDB

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6DN : Summary

Code

6DN

One-letter code

K

Molecule name

(2~{S})-2-azanyl-6-(2-hydroxy-2-oxoethylamino)hexanoic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.5 (2~{S})-2-azanyl-6-(2-hydroxy-2-oxoethylamino)hexanoic acid

Formula

C8 H16 N2 O4

Formal charge

0

Molecular weight

204.224 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 N[CH](CCCCNCC(O)=O)C(O)=O
SMILES OpenEye OEToolkits 2.0.5 C(CCNCC(=O)O)CC(C(=O)O)N
Canonical SMILES CACTVS 3.385 N[C@@H](CCCCNCC(O)=O)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.5 C(CCNCC(=O)O)C[C@@H](C(=O)O)N

IUPAC InChI

InChI=1S/C8H16N2O4/c9-6(8(13)14)3-1-2-4-10-5-7(11)12/h6,10H,1-5,9H2,(H,11,12)(H,13,14)/t6-/m0/s1

IUPAC InChI key

NUXSIDPKKIEIMI-LURJTMIESA-N
6DN

wwPDB Information

Atom count

30 (14 without Hydrogen)

Polymer type

Amino Acid

Type description

NON-POLYMER

Type code

ATOMP

Is modified

Yes

Standard parent

LYS

Defined at

2016-03-30

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned