SEQ2FUN

BioLiP

PDB CCD ID: LEA
Number of entries in BioLiP: 11
Chemical formula: C5 H10 O2
InChI: InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)
InChIKey: NQPDZGIKBAWPEJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)CCCC
OpenEye OEToolkits 1.7.6CCCCC(=O)O
CACTVS 3.370CCCCC(O)=O
Name:PENTANOIC ACID;
VALERIC ACID
ChEMBL: CHEMBL268736
DrugBank: DB02406
ZINC: ZINC000031500905
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).