BioLiP

PDB

BioLiP

PDB CCD ID:

2GL

Number of entries in BioLiP:

Chemical formula:

C8 H14 O5

InChI:

InChI=1S/C8H14O5/c1-4-8(13-5(2)9)6(10)3-7(11)12-4/h4,6-8,10-11H,3H2,1-2H3/t4-,6-,7-,8+/m1/s1

InChIKey:

VJCDYXNEQSTOMG-JBBNEOJLSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[CH]1O[CH](O)C[CH](O)[CH]1OC(C)=O
CACTVS 3.385	C[C@H]1O[C@@H](O)C[C@@H](O)[C@H]1OC(C)=O
OpenEye OEToolkits 1.7.6	C[C@@H]1[C@@H]([C@@H](C[C@@H](O1)O)O)OC(=O)C
ACDLabs 12.01	O=C(OC1C(OC(O)CC1O)C)C
OpenEye OEToolkits 1.7.6	CC1C(C(CC(O1)O)O)OC(=O)C

Name:

4-O-acetyl-2,6-dideoxy-beta-D-galactopyranose;
4-O-ACETYL-2,6-DIDEOXY-ALPHA-D-GALACTO-HEXOPYRANOSE;
4-O-acetyl-2,6-dideoxy-beta-D-galactose;
4-O-acetyl-2,6-dideoxy-D-galactose;
4-O-acetyl-2,6-dideoxy-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).