BioLiP

PDB

BioLiP

PDB CCD ID:

8YV

Number of entries in BioLiP:

Chemical formula:

C6 H10 O7

InChI:

InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-4,7-10H,1H2,(H,12,13)/t2-,3-,4+/m1/s1

InChIKey:

VBUYCZFBVCCYFD-JJYYJPOSSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	C(C(C(C(C(=O)C(=O)O)O)O)O)O
ACDLabs 12.01	C(C(CO)O)(O)C(C(C(=O)O)=O)O
OpenEye OEToolkits 2.0.6	C([C@H]([C@H]([C@@H](C(=O)C(=O)O)O)O)O)O
CACTVS 3.385	OC[CH](O)[CH](O)[CH](O)C(=O)C(O)=O
CACTVS 3.385	OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)C(O)=O

Name:

2-keto-D-gluconic acid;
(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexanoic acid;
D-fructosonic acid

ZINC:

ZINC000100028860

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).