Chemical Components in the PDB

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ABU : Summary

Code

ABU

One-letter code

X

Molecule name

GAMMA-AMINO-BUTANOIC ACID

Synonyms

GAMMA(AMINO)-BUTYRIC ACID

Systematic names

ProgramVersionName
ACDLabs 12.01 4-aminobutanoic acid
OpenEye OEToolkits 1.7.0 4-azanylbutanoic acid

Formula

C4 H9 N O2

Formal charge

0

Molecular weight

103.12 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)CCCN
SMILES CACTVS 3.370 NCCCC(O)=O
SMILES OpenEye OEToolkits 1.7.0 C(CC(=O)O)CN
Canonical SMILES CACTVS 3.370 NCCCC(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.0 C(CC(=O)O)CN

IUPAC InChI

InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)

IUPAC InChI key

BTCSSZJGUNDROE-UHFFFAOYSA-N
ABU

wwPDB Information

Atom count

16 (7 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned