BioLiP

PDB

BioLiP

PDB CCD ID:

OOA

Number of entries in BioLiP:

Chemical formula:

C8 H14 O3

InChI:

InChI=1S/C8H14O3/c1-2-3-4-5-7(9)6-8(10)11/h2-6H2,1H3,(H,10,11)

InChIKey:

FWNRRWJFOZIGQZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C(O)CC(=O)CCCCC
OpenEye OEToolkits 1.5.0	CCCCCC(=O)CC(=O)O
CACTVS 3.341	CCCCCC(=O)CC(O)=O

Name:

3-OXOOCTANOIC 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).