BioLiP

PDB

BioLiP

PDB CCD ID:

V4W

Number of entries in BioLiP:

Chemical formula:

C6 H8 O6

InChI:

InChI=1S/C6H8O6/c7-2-5(10)3(8)1-4(9)6(11)12/h2-3,5,8,10H,1H2,(H,11,12)/t3-,5+/m0/s1

InChIKey:

IMUGYKFHMJLTOU-WVZVXSGGSA-N

SMILES:

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

Name:

4-deoxy-L-erythro-hex-5-ulosuronic acid;
(4S,5S)-4,5-bis(oxidanyl)-2,6-bis(oxidanylidene)hexanoic acid;
(4S,5S)-4,5-Dihydroxy-2,6-dioxohexanoic acid;
4-deoxy-L-erythro-5-hexoseulose uronic acid;
440352

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).