Chemical Components in the PDB

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OUE : Summary

Code

OUE

One-letter code

X

Molecule name

(4~{S})-4-azanyl-5-(carboxyamino)pentanoic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 (4~{S})-4-azanyl-5-(carboxyamino)pentanoic acid

Formula

C6 H12 N2 O4

Formal charge

0

Molecular weight

176.17 Da

SMILES

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

IUPAC InChI

InChI=1S/C6H12N2O4/c7-4(1-2-5(9)10)3-8-6(11)12/h4,8H,1-3,7H2,(H,9,10)(H,11,12)/t4-/m0/s1

IUPAC InChI key

OFEONCRDIBQIKF-BYPYZUCNSA-N
OUE

wwPDB Information

Atom count

24 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-02-10

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned