BioLiP

PDB

BioLiP

PDB CCD ID:

KO1

Number of entries in BioLiP:

Chemical formula:

C8 H14 O9

InChI:

InChI=1S/C8H14O9/c9-1-2(10)5-3(11)4(12)6(13)8(16,17-5)7(14)15/h2-6,9-13,16H,1H2,(H,14,15)/t2-,3-,4+,5-,6+,8-/m1/s1

InChIKey:

GQQWVQCNFJXTNV-CXERMUKYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	OC[C@@H](O)[C@H]1O[C@](O)([C@@H](O)[C@@H](O)[C@H]1O)C(O)=O
OpenEye OEToolkits 1.5.0	C([C@H]([C@@H]1[C@@H]([C@@H]([C@@H]([C@@](O1)(C(=O)O)O)O)O)O)O)O
ACDLabs 10.04	O=C(O)C1(O)OC(C(O)CO)C(O)C(O)C1O
CACTVS 3.341	OC[CH](O)[CH]1O[C](O)([CH](O)[CH](O)[CH]1O)C(O)=O
OpenEye OEToolkits 1.5.0	C(C(C1C(C(C(C(O1)(C(=O)O)O)O)O)O)O)O

Name:

D-glycero-alpha-D-talo-oct-2-ulopyranosonic acid;
D-glycero-alpha-D-talo-oct-2-ulosonic acid;
D-glycero-D-talo-oct-2-ulosonic acid;
D-glycero-talo-oct-2-ulosonic acid

ZINC:

ZINC000058638802

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).