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BioLiP

PDB CCD ID: 2DB
Number of entries in BioLiP: 1
Chemical formula: C3 H10 B O6
InChI: InChI=1S/C3H10BO6/c5-1-3(6)2-10-4(7,8)9/h3,5-9H,1-2H2/q-1/t3-/m0/s1
InChIKey: KLKDDPLTQSQDLA-VKHMYHEASA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OC[C@H](O)CO[B-](O)(O)O
ACDLabs 10.04O[B-](O)(O)OCC(O)CO
CACTVS 3.341OC[CH](O)CO[B-](O)(O)O
OpenEye OEToolkits 1.5.0[B-](O)(O)(O)OCC(CO)O
OpenEye OEToolkits 1.5.0[B-](O)(O)(O)OC[C@H](CO)O
Name:(S)-(2,3-DIHYDROXYPROPOXY)TRIHYDROXYBORATE
ZINC: ZINC000196075144
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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