BioLiP

PDB

BioLiP

PDB CCD ID:

RRJ

Number of entries in BioLiP:

Chemical formula:

C6 H11 Cl O5

InChI:

InChI=1S/C6H11ClO5/c7-3-2(1-8)12-6(11)5(10)4(3)9/h2-6,8-11H,1H2/t2-,3+,4+,5-,6+/m1/s1

InChIKey:

UDOJFSFHKNQOHC-PHYPRBDBSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)Cl)O
CACTVS 3.385	OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1Cl
CACTVS 3.385	OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1Cl
OpenEye OEToolkits 2.0.7	C(C1C(C(C(C(O1)O)O)O)Cl)O
ACDLabs 12.01	OC1C(C(C(C(O1)CO)Cl)O)O

Name:

4-chloro-4-deoxy-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).