SEQ2FUN

BioLiP

PDB CCD ID: B0S
Number of entries in BioLiP: 1
Chemical formula: C13 H29 B O2
InChI: InChI=1S/C13H29BO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h15-16H,2-13H2,1H3
InChIKey: IBKXABQGVIIFFS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6B(CCCCCCCCCCCCC)(O)O
ACDLabs 12.01OB(O)CCCCCCCCCCCCC
CACTVS 3.385CCCCCCCCCCCCCB(O)O
Name:tridecylboronic acid
ChEMBL: CHEMBL1966359
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).