Chemical Components in the PDB

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SAL : Summary

Code

SAL

One-letter code

X

Molecule name

2-HYDROXYBENZOIC ACID

Synonyms

SALICYLIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 2-hydroxybenzoic acid
OpenEye OEToolkits 1.5.0 2-hydroxybenzoic acid

Formula

C7 H6 O3

Formal charge

0

Molecular weight

138.121 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)c1ccccc1O
SMILES CACTVS 3.341 OC(=O)c1ccccc1O
SMILES OpenEye OEToolkits 1.5.0 c1ccc(c(c1)C(=O)O)O
Canonical SMILES CACTVS 3.341 OC(=O)c1ccccc1O
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc(c(c1)C(=O)O)O

IUPAC InChI

InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)

IUPAC InChI key

YGSDEFSMJLZEOE-UHFFFAOYSA-N
SAL

wwPDB Information

Atom count

16 (10 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