Chemical Components in the PDB

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ZZ8 : Summary

Code

ZZ8

One-letter code

X

Molecule name

2-(ACETYLAMINO)BENZOIC ACID

Synonyms

N-ACETYLANTHRANILATE

Systematic names

ProgramVersionName
ACDLabs 10.04 2-(acetylamino)benzoic acid
OpenEye OEToolkits 1.6.1 2-acetamidobenzoic acid

Formula

C9 H9 N O3

Formal charge

0

Molecular weight

179.173 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(Nc1ccccc1C(=O)O)C
SMILES CACTVS 3.352 CC(=O)Nc1ccccc1C(O)=O
SMILES OpenEye OEToolkits 1.6.1 CC(=O)Nc1ccccc1C(=O)O
Canonical SMILES CACTVS 3.352 CC(=O)Nc1ccccc1C(O)=O
Canonical SMILES OpenEye OEToolkits 1.6.1 CC(=O)Nc1ccccc1C(=O)O

IUPAC InChI

InChI=1S/C9H9NO3/c1-6(11)10-8-5-3-2-4-7(8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)

IUPAC InChI key

QSACCXVHEVWNMX-UHFFFAOYSA-N
ZZ8

wwPDB Information

Atom count

22 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2009-05-22

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned