BioLiP

PDB

BioLiP

PDB CCD ID:

XPM

Number of entries in BioLiP:

Chemical formula:

C17 H32 O4

InChI:

InChI=1S/C17H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16(18)19)17(20)21/h15H,2-14H2,1H3,(H,18,19)(H,20,21)

InChIKey:

SMTKGALBDOEZCA-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(O)C(C(=O)O)CCCCCCCCCCCCCC
OpenEye OEToolkits 1.7.2	CCCCCCCCCCCCCCC(C(=O)O)C(=O)O
CACTVS 3.370	CCCCCCCCCCCCCCC(C(O)=O)C(O)=O

Name:

tetradecylpropanedioic acid

ZINC:

ZINC000059439059

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).