PDB Chemical Component AZ1

Ideal Model

Chemical Description

Name AZELAIC ACID
Formula C9 H16 O4
Formal charge 0
Molecular weight 188.221 g/mol
Component type NON-POLYMER

Chemical features

Atom count 29
Chiral atom count 0
Bond count 28
Aromatic bond count 0

Chemical Identifiers

Systematic name (ACDLabs) nonanedioic acid
Systematic name (OpenEye OEToolkits) nonanedioic acid

Chemical Descriptors

Stereo SMILES (CACTVS) OC(=O)CCCCCCCC(O)=O
SMILES (CACTVS) OC(=O)CCCCCCCC(O)=O
Stereo SMILES (OpenEye) C(CCCC(=O)O)CCCC(=O)O
InChI descriptor InChI=1/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13)/f/h10,12H
InChIKey descriptor BDJRBEYXGGNYIS-QIQUEDJNCR

Status Information

Last modified 2008-10-14
Created 2004-07-07
Release status REL
Model PDB code 1TUF
Processing site RCSB