BioLiP

PDB

BioLiP

PDB CCD ID:

A2B

Number of entries in BioLiP:

Chemical formula:

C5 H10 B O7

InChI:

InChI=1S/C5H10BO7/c7-2-5-4(3(8)1-11-5)12-6(9,10)13-5/h3-4,7-10H,1-2H2/q-1/t3-,4+,5+/m0/s1

InChIKey:

HLBKGCVZIOGTKY-VPENINKCSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC[C]12OC[CH](O)[CH]1O[B-](O)(O)O2
ACDLabs 12.01	OCC21C(O[B-](O1)(O)O)C(O)CO2
CACTVS 3.385	OC[C@]12OC[C@H](O)[C@H]1O[B-](O)(O)O2
OpenEye OEToolkits 1.9.2	[B-]1(O[C@@H]2[C@H](CO[C@@]2(O1)CO)O)(O)O
OpenEye OEToolkits 1.9.2	[B-]1(OC2C(COC2(O1)CO)O)(O)O

Name:

L-xylulofuranose-1,2-borate

ZINC:

ZINC000584905495

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).