BioLiP

PDB

BioLiP

PDB CCD ID:

74I

Number of entries in BioLiP:

Chemical formula:

C3 H4 O4

InChI:

InChI=1S/C3H4O4/c4-1-2(5)3(6)7/h1,4-5H,(H,6,7)/b2-1-

InChIKey:

XHDBNNIXWWTOFN-UPHRSURJSA-N

SMILES:

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

Name:

(Z)-2,3-bis(oxidanyl)prop-2-enoic acid;
2,3-dihydroxyacrylic acid;
2,3-dihydroxyprop-2-enoic acid;
67573738

ZINC:

ZINC000113384686

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).