BioLiP

PDB

BioLiP

PDB CCD ID:

A1H39

Number of entries in BioLiP:

Chemical formula:

C6 H10 O4

InChI:

InChI=1S/C6H10O4/c7-3-1-9-4-2-10-6(3)5(4)8/h3-8H,1-2H2/t3-,4+,5-,6+/m0/s1

InChIKey:

YOSORPVRDQOTPQ-BGPJRJDNSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1[C@@H]([C@@H]2[C@H]([C@H](O1)CO2)O)O
CACTVS 3.385	O[C@H]1CO[C@@H]2CO[C@H]1[C@H]2O
CACTVS 3.385	O[CH]1CO[CH]2CO[CH]1[CH]2O
OpenEye OEToolkits 2.0.7	C1C(C2C(C(O1)CO2)O)O

Name:

(1~{R},4~{S},5~{R},8~{S})-2,6-dioxabicyclo[3.2.1]octane-4,8-diol;
ADG (3,6-anhydro-D-galactose)

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).