BioLiP

PDB

BioLiP

PDB CCD ID:

Y3P

Number of entries in BioLiP:

Chemical formula:

C4 H4 O5

InChI:

InChI=1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1,5H,(H,6,7)(H,8,9)/b2-1-

InChIKey:

UWYVPFMHMJIBHE-UPHRSURJSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)/C=C(O)/C(O)=O
CACTVS 3.385	OC(=O)C=C(O)C(O)=O
OpenEye OEToolkits 2.0.7	C(=C(/C(=O)O)\O)\C(=O)O
OpenEye OEToolkits 2.0.7	C(=C(C(=O)O)O)C(=O)O

Name:

(~{Z})-2-oxidanylbut-2-enedioic acid

ZINC:

ZINC000100066920

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).