BioLiP

PDB

BioLiP

PDB CCD ID:

LAU

Number of entries in BioLiP:

Chemical formula:

C12 H24 O2

InChI:

InChI=1/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)/f/h13H

InChIKey:

POULHZVOKOAJMA-NDKGDYFDCC

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CCCCCCCCCCCC(=O)O
ACDLabs 10.04	O=C(O)CCCCCCCCCCC
CACTVS 3.341	CCCCCCCCCCCC(O)=O

Name:

DODECANOIC ACID

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).