BioLiP

PDB

BioLiP

PDB CCD ID:

F7C

Number of entries in BioLiP:

Chemical formula:

C4 H4 O6

InChI:

InChI=1S/C4H4O6/c5-1(3(7)8)2(6)4(9)10/h1,5H,(H,7,8)(H,9,10)/t1-/m0/s1

InChIKey:

RMHHUKGVZFVHED-SFOWXEAESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C(C(=O)C(=O)O)(C(=O)O)O
CACTVS 3.385	O[C@H](C(O)=O)C(=O)C(O)=O
OpenEye OEToolkits 2.0.7	[C@H](C(=O)C(=O)O)(C(=O)O)O
CACTVS 3.385	O[CH](C(O)=O)C(=O)C(O)=O

Name:

(2~{S})-2-oxidanyl-3-oxidanylidene-butanedioic acid

ZINC:

ZINC000001529657

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).