SEQ2FUN

BioLiP

PDB CCD ID: SH6
Number of entries in BioLiP: 1
Chemical formula: C8 H15 Br O2
InChI: InChI=1S/C8H15BrO2/c9-7-5-3-1-2-4-6-8(10)11/h1-7H2,(H,10,11)
InChIKey: BKJFDZSBZWHRNH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2C(CCCC(=O)O)CCCBr
CACTVS 3.385OC(=O)CCCCCCCBr
ACDLabs 12.01O=C(O)CCCCCCCBr
Name:8-bromooctanoic acid
ZINC: ZINC000002504410
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).