Chemical Components in the PDB

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SHA : Summary

Code

SHA

One-letter code

X

Molecule name

SALICYLHYDROXAMIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 N,2-dihydroxybenzamide
OpenEye OEToolkits 1.5.0 N,2-dihydroxybenzamide

Formula

C7 H7 N O3

Formal charge

0

Molecular weight

153.135 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(c1ccccc1O)NO
SMILES CACTVS 3.341 ONC(=O)c1ccccc1O
SMILES OpenEye OEToolkits 1.5.0 c1ccc(c(c1)C(=O)NO)O
Canonical SMILES CACTVS 3.341 ONC(=O)c1ccccc1O
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc(c(c1)C(=O)NO)O

IUPAC InChI

InChI=1S/C7H7NO3/c9-6-4-2-1-3-5(6)7(10)8-11/h1-4,9,11H,(H,8,10)

IUPAC InChI key

HBROZNQEVUILML-UHFFFAOYSA-N
SHA

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