BioLiP

PDB

BioLiP

PDB CCD ID:

A1B

Number of entries in BioLiP:

Chemical formula:

C5 H10 B O6

InChI:

InChI=1S/C5H10BO6/c1-5-4(3(7)2-10-5)11-6(8,9)12-5/h3-4,7-9H,2H2,1H3/q-1/t3-,4+,5+/m0/s1

InChIKey:

GNABZUZRGYHKDZ-VPENINKCSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	[B-]1(O[C@@H]2[C@H](CO[C@@]2(O1)C)O)(O)O
CACTVS 3.385	C[C@]12OC[C@H](O)[C@H]1O[B-](O)(O)O2
ACDLabs 12.01	C21O[B-](OC1(OCC2O)C)(O)O
CACTVS 3.385	C[C]12OC[CH](O)[CH]1O[B-](O)(O)O2
OpenEye OEToolkits 1.9.2	[B-]1(OC2C(COC2(O1)C)O)(O)O

Name:

1-deoxy-alpha-L-xylulofuranose-1,2-borate

ZINC:

ZINC000584905494

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).