Chemical Components in the PDB

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CUW : Summary

Code

CUW

One-letter code

X

Molecule name

(2~{S},3~{R})-2,6-bis(azanyl)-3-oxidanyl-hexanoic acid

Synonyms

3-hydroxy-L-lysine

Systematic names

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

Formula

C6 H14 N2 O3

Formal charge

0

Molecular weight

162.187 Da

SMILES

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

IUPAC InChI

InChI=1S/C6H14N2O3/c7-3-1-2-4(9)5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)/t4-,5+/m1/s1

IUPAC InChI key

YSVMULOOWPBERR-UHNVWZDZSA-N
CUW

wwPDB Information

Atom count

25 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-12-05

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned