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BioLiP

PDB CCD ID: 3QJ
Number of entries in BioLiP: 1
Chemical formula: C6 H16 B O3
InChI: InChI=1S/C6H16BO3/c1-2-3-4-5-6-7(8,9)10/h8-10H,2-6H2,1H3/q-1
InChIKey: ZVNFLSCBVLLZCO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2[B-](CCCCCC)(O)(O)O
CACTVS 3.385CCCCCC[B-](O)(O)O
ACDLabs 12.01O[B-](O)(O)CCCCCC
Name:hexyl(trihydroxy)borate(1-)
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).
  • 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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