BioLiP

PDB

BioLiP

PDB CCD ID:

A1CCV

Number of entries in BioLiP:

Chemical formula:

C6 H12 O5

InChI:

InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5+,6+/m1/s1

InChIKey:

SHZGCJCMOBCMKK-URLGYRAOSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@H]1O
OpenEye OEToolkits 3.1.0.0	C[C@@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O
ACDLabs 14.52	OC1C(O)C(C)OC(O)C1O
OpenEye OEToolkits 3.1.0.0	CC1C(C(C(C(O1)O)O)O)O
CACTVS 3.385	C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O

Name:

6-deoxy-alpha-D-talopyranose

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).