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BioLiP Library

PDB CCD ID: A2B
Number of entries in BioLiP: 2
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:
SoftwareSMILES
CACTVS 3.385OC[C]12OC[CH](O)[CH]1O[B-](O)(O)O2
ACDLabs 12.01OCC21C(O[B-](O1)(O)O)C(O)CO2
CACTVS 3.385OC[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, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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