BioLiP

PDB

BioLiP

PDB CCD ID:

KD3

Number of entries in BioLiP:

Chemical formula:

C8 H14 O8

InChI:

InChI=1S/C8H14O8/c9-2-4(11)6-5(12)3(10)1-8(15,16-6)7(13)14/h3-6,9-12,15H,1-2H2,(H,13,14)/t3-,4-,5-,6-,8+/m1/s1

InChIKey:

NNLZBVFSCVTSLA-FBXMPTEYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC[C@@H](O)[C@H]1O[C@@](O)(C[C@@H](O)[C@H]1O)C(O)=O
OpenEye OEToolkits 2.0.7	C1C(C(C(OC1(C(=O)O)O)C(CO)O)O)O
CACTVS 3.385	OC[CH](O)[CH]1O[C](O)(C[CH](O)[CH]1O)C(O)=O
OpenEye OEToolkits 2.0.7	C1[C@H]([C@H]([C@H](O[C@@]1(C(=O)O)O)[C@@H](CO)O)O)O
ACDLabs 12.01	OC(=O)C1(O)CC(O)C(O)C(O1)C(O)CO

Name:

3-deoxy-beta-D-manno-oct-2-ulopyranosonic acid

ZINC:

ZINC000044168213

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).