BioLiP

PDB

BioLiP

PDB CCD ID:

4I1

Number of entries in BioLiP:

Chemical formula:

C18 H34 O2

InChI:

InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h12-13H,2-11,14-17H2,1H3,(H,19,20)/b13-12-

InChIKey:

CNVZJPUDSLNTQU-SEYXRHQNSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCCCCCCCCCC\C=C/CCCCC(O)=O
OpenEye OEToolkits 2.0.7	CCCCCCCCCCCC=CCCCCC(=O)O
CACTVS 3.385	CCCCCCCCCCCC=CCCCCC(O)=O
OpenEye OEToolkits 2.0.7	CCCCCCCCCCC/C=C\CCCCC(=O)O

Name:

Petroselinic acid

ChEMBL:

CHEMBL3139878

ZINC:

ZINC000008221028

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).