BioLiP

PDB

BioLiP

PDB CCD ID:

OOG

Number of entries in BioLiP:

Chemical formula:

C6 H8 O5

InChI:

InChI=1S/C6H8O5/c7-4(6(10)11)2-1-3-5(8)9/h1-3H2,(H,8,9)(H,10,11)

InChIKey:

FGSBNBBHOZHUBO-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	C(CC(=O)C(=O)O)CC(=O)O
ACDLabs 12.01	O=C(C(=O)O)CCCC(=O)O
CACTVS 3.385	OC(=O)CCCC(=O)C(O)=O

Name:

2-OXOADIPIC ACID

ZINC:

ZINC000001532613

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).