Chemical Components in the PDB

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0XL : Summary

Code

0XL

One-letter code

X

Molecule name

2-amino-2-ethylbutanoic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 2-amino-2-ethylbutanoic acid
OpenEye OEToolkits 1.7.6 2-azanyl-2-ethyl-butanoic acid

Formula

C6 H13 N O2

Formal charge

0

Molecular weight

131.173 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)C(N)(CC)CC
SMILES CACTVS 3.370 CCC(N)(CC)C(O)=O
SMILES OpenEye OEToolkits 1.7.6 CCC(CC)(C(=O)O)N
Canonical SMILES CACTVS 3.370 CCC(N)(CC)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 CCC(CC)(C(=O)O)N

IUPAC InChI

InChI=1S/C6H13NO2/c1-3-6(7,4-2)5(8)9/h3-4,7H2,1-2H3,(H,8,9)

IUPAC InChI key

KWOMLHIFHFWBSB-UHFFFAOYSA-N
0XL

wwPDB Information

Atom count

22 (9 without Hydrogen)

Polymer type

Amino Acid

Type description

PEPTIDE LINKING

Type code

ATOMP

Is modified

No

Standard parent

Not Assigned

Defined at

2012-08-29

Last modified at

2013-07-26

Status

Released

Obsoleted

Not Assigned