BioLiP

PDB

BioLiP

PDB CCD ID:

GC1

Number of entries in BioLiP:

Chemical formula:

C6 H10 O6

InChI:

InChI=1S/C6H10O6/c7-2-1-12-5(6(10)11)4(9)3(2)8/h2-5,7-9H,1H2,(H,10,11)/t2-,3+,4-,5-/m0/s1

InChIKey:

KYIOVQZVBFQNEB-QTBDOELSSA-N

SMILES:

Software	SMILES
CACTVS 3.341	O[C@H]1CO[C@@H]([C@@H](O)[C@@H]1O)C(O)=O
OpenEye OEToolkits 1.5.0	C1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O
ACDLabs 10.04	O=C(O)C1OCC(O)C(O)C1O
OpenEye OEToolkits 1.5.0	C1C(C(C(C(O1)C(=O)O)O)O)O
CACTVS 3.341	O[CH]1CO[CH]([CH](O)[CH]1O)C(O)=O

Name:

2,6-anhydro-L-gulonic acid;
1-deoxy-D-glucuronic acid

ZINC:

ZINC000016052237

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).