BioLiP

PDB

BioLiP

PDB CCD ID:

IOW

Number of entries in BioLiP:

Chemical formula:

C6 H8 O6

InChI:

InChI=1S/C6H8O6/c1-6(12,5(10)11)2-3(7)4(8)9/h12H,2H2,1H3,(H,8,9)(H,10,11)/t6-/m0/s1

InChIKey:

YRWAMSXHYBBHFL-LURJTMIESA-N

SMILES:

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

Name:

(2~{S})-2-methyl-2-oxidanyl-4-oxidanylidene-pentanedioic acid

ZINC:

ZINC000001529880

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).