BioLiP

PDB

BioLiP

PDB CCD ID:

9RN

Number of entries in BioLiP:

Chemical formula:

C6 H10 O5

InChI:

InChI=1S/C6H10O5/c7-3-2-1-10-5(3)4(8)6(9)11-2/h2-9H,1H2/t2-,3+,4-,5+,6+/m1/s1

InChIKey:

DCQFFOLNJVGHLW-RDQKPOQOSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O[C@H]1O[C@@H]2CO[C@H]([C@H]1O)[C@H]2O
ACDLabs 12.01	OC1OC2COC(C2O)C1O
OpenEye OEToolkits 2.0.7	C1[C@@H]2[C@@H]([C@H](O1)[C@H]([C@H](O2)O)O)O
OpenEye OEToolkits 2.0.7	C1C2C(C(O1)C(C(O2)O)O)O
CACTVS 3.385	O[CH]1O[CH]2CO[CH]([CH]1O)[CH]2O

Name:

3,6-anhydro-alpha-D-galactopyranose

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).