BioLiP

PDB

BioLiP

PDB CCD ID:

1CF

Number of entries in BioLiP:

Chemical formula:

C8 H16 O6

InChI:

InChI=1S/C8H16O6/c1-4-5(10)6(11)7(12)8(14-4)13-3-2-9/h4-12H,2-3H2,1H3/t4-,5+,6+,7-,8-/m0/s1

InChIKey:

WEKZOSZDHREWIU-SHGPDSBTSA-N

SMILES:

Software	SMILES
CACTVS 3.370	C[CH]1O[CH](OCCO)[CH](O)[CH](O)[CH]1O
CACTVS 3.370	C[C@@H]1O[C@H](OCCO)[C@@H](O)[C@H](O)[C@@H]1O
OpenEye OEToolkits 1.7.6	C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)OCCO)O)O)O
OpenEye OEToolkits 1.7.6	CC1C(C(C(C(O1)OCCO)O)O)O
ACDLabs 12.01	O(CCO)C1OC(C(O)C(O)C1O)C

Name:

2-hydroxyethyl 6-deoxy-beta-L-galactopyranoside;
2-hydroxyethyl 6-deoxy-beta-L-galactoside;
2-hydroxyethyl 6-deoxy-L-galactoside;
2-hydroxyethyl 6-deoxy-galactoside

ZINC:

ZINC000098207943

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).