BioLiP

PDB

BioLiP

PDB CCD ID:

Q1W

Number of entries in BioLiP:

Chemical formula:

C7 H10 O5

InChI:

InChI=1S/C7H10O5/c1-7(2,6(11)12)3-4(8)5(9)10/h3H2,1-2H3,(H,9,10)(H,11,12)

InChIKey:

UMLBANZGNKNTIS-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(C)(CC(=O)C(O)=O)C(O)=O
OpenEye OEToolkits 2.0.7	CC(C)(CC(=O)C(=O)O)C(=O)O

Name:

2,2-dimethyl-4-oxidanylidene-pentanedioic 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).