Chemical Components in the PDB

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OHB : Summary

Code

OHB

One-letter code

X

Molecule name

salicylamide

Synonyms

2-hydroxybenzamide

Systematic names

ProgramVersionName
ACDLabs 12.01 2-hydroxybenzamide
OpenEye OEToolkits 1.7.6 2-oxidanylbenzamide

Formula

C7 H7 N O2

Formal charge

0

Molecular weight

137.136 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(c1ccccc1O)N
SMILES CACTVS 3.370 NC(=O)c1ccccc1O
SMILES OpenEye OEToolkits 1.7.6 c1ccc(c(c1)C(=O)N)O
Canonical SMILES CACTVS 3.370 NC(=O)c1ccccc1O
Canonical SMILES OpenEye OEToolkits 1.7.6 c1ccc(c(c1)C(=O)N)O

IUPAC InChI

InChI=1S/C7H7NO2/c8-7(10)5-3-1-2-4-6(5)9/h1-4,9H,(H2,8,10)

IUPAC InChI key

SKZKKFZAGNVIMN-UHFFFAOYSA-N
OHB

wwPDB Information

Atom count

17 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-04-10

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned