SEQ2FUN

BioLiP

PDB CCD ID: CXP
Number of entries in BioLiP: 1
Chemical formula: C9 H16 O2
InChI: InChI=1S/C9H16O2/c10-9(11)7-6-8-4-2-1-3-5-8/h8H,1-7H2,(H,10,11)
InChIKey: HJZLEGIHUQOJBA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OC(=O)CCC1CCCCC1
ACDLabs 10.04O=C(O)CCC1CCCCC1
OpenEye OEToolkits 1.5.0C1CCC(CC1)CCC(=O)O
Name:CYCLOHEXANE PROPIONIC ACID
ChEMBL: CHEMBL1231997
DrugBank: DB02242
ZINC: ZINC000000388386
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).