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BioLiP Library

PDB CCD ID: A1B
Number of entries in BioLiP: 4
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:
SoftwareSMILES
OpenEye OEToolkits 1.9.2[B-]1(O[C@@H]2[C@H](CO[C@@]2(O1)C)O)(O)O
CACTVS 3.385C[C@]12OC[C@H](O)[C@H]1O[B-](O)(O)O2
ACDLabs 12.01C21O[B-](OC1(OCC2O)C)(O)O
CACTVS 3.385C[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, 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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