BioLiP

PDB

BioLiP

PDB CCD ID:

OBK

Number of entries in BioLiP:

Chemical formula:

C9 H16 O4

InChI:

InChI=1S/C9H16O4/c1-2-13-9(12)7-5-3-4-6-8(10)11/h2-7H2,1H3,(H,10,11)

InChIKey:

NQYXFXWKKYGBNL-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCOC(=O)CCCCCC(=O)O
CACTVS 3.385	CCOC(=O)CCCCCC(O)=O

Name:

7-ethoxy-7-oxidanylidene-heptanoic acid;
pimelic acid monoethyl ester

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).