BioLiP

PDB

BioLiP

PDB CCD ID:

ONF

Number of entries in BioLiP:

Chemical formula:

C15 H23 N O3

InChI:

InChI=1S/C15H23NO3/c17-14(13-9-8-12-16-13)10-6-4-2-1-3-5-7-11-15(18)19/h8-9,12,16H,1-7,10-11H2,(H,18,19)

InChIKey:

LRVUVJYTRUNASO-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)CCCCCCCCCC(=O)c1[nH]ccc1
OpenEye OEToolkits 2.0.7	c1cc([nH]c1)C(=O)CCCCCCCCCC(=O)O

Name:

11-oxidanylidene-11-(1~{H}-pyrrol-2-yl)undecanoic 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).