BioLiP

PDB

BioLiP

PDB CCD ID:

A1CCW

Number of entries in BioLiP:

Chemical formula:

C8 H14 O6

InChI:

InChI=1S/C8H14O6/c1-3-5(10)6(11)7(8(12)13-3)14-4(2)9/h3,5-8,10-12H,1-2H3/t3-,5+,6+,7+,8+/m1/s1

InChIKey:

JAMRSAWASNAFCK-FDQSEENZSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[C@H]1O[C@H](O)[C@@H](OC(C)=O)[C@@H](O)[C@H]1O
OpenEye OEToolkits 3.1.0.0	CC1C(C(C(C(O1)O)OC(=O)C)O)O
ACDLabs 14.52	OC1OC(C)C(O)C(O)C1OC(C)=O
OpenEye OEToolkits 3.1.0.0	C[C@@H]1[C@@H]([C@@H]([C@@H](C(O1)O)OC(=O)C)O)O
CACTVS 3.385	C[CH]1O[CH](O)[CH](OC(C)=O)[CH](O)[CH]1O

Name:

2-O-acetyl-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).