Chemical Components in the PDB

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BHA : Summary

Code

BHA

One-letter code

X

Molecule name

2-HYDROXY-4-AMINOBENZOIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 4-amino-2-hydroxybenzoic acid
OpenEye OEToolkits 1.5.0 4-amino-2-hydroxy-benzoic acid

Formula

C7 H7 N O3

Formal charge

0

Molecular weight

153.135 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)c1ccc(cc1O)N
SMILES CACTVS 3.341 Nc1ccc(C(O)=O)c(O)c1
SMILES OpenEye OEToolkits 1.5.0 c1cc(c(cc1N)O)C(=O)O
Canonical SMILES CACTVS 3.341 Nc1ccc(C(O)=O)c(O)c1
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc(c(cc1N)O)C(=O)O

IUPAC InChI

InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11)

IUPAC InChI key

WUBBRNOQWQTFEX-UHFFFAOYSA-N
BHA

wwPDB Information

Atom count

18 (11 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