BioLiP

PDB

BioLiP

PDB CCD ID:

E5U

Number of entries in BioLiP:

Chemical formula:

C4 H6 O5

InChI:

InChI=1S/C4H6O5/c1-9-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8)

InChIKey:

VLDSMCHWNWDAKQ-UHFFFAOYSA-N

SMILES:

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

Name:

2-methoxypropanedioic 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).