SEQ2FUN

BioLiP

PDB CCD ID: 87X
Number of entries in BioLiP: 2
Chemical formula: C11 H20 O2
InChI: InChI=1S/C11H20O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h10H,1-9H2,(H,12,13)
InChIKey: YMUHUYBRWUUAJF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6C1CCC(CC1)CCCCC(=O)O
CACTVS 3.385OC(=O)CCCCC1CCCCC1
Name:5-cyclohexylpentanoic acid;
Cyclohexane-valeric acid
ZINC: ZINC000001577134
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).