BioLiP

PDB

BioLiP

PDB CCD ID:

4IF

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/h7-8H,2-6,9-17H2,1H3,(H,19,20)/b8-7-

InChIKey:

UWHZIFQPPBDJPM-FPLPWBNLSA-N

SMILES:

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

Name:

cis-vaccenic acid

ChEMBL:

CHEMBL1236642

DrugBank:

DB04801

ZINC:

ZINC000014881303

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).