SEQ2FUN

BioLiP

PDB CCD ID: 2PP
Number of entries in BioLiP: 0
Chemical formula: C8 H16 O2
InChI: InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
InChIKey: NIJJYAXOARWZEE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(O)C(CCC)CCC
CACTVS 3.341CCCC(CCC)C(O)=O
OpenEye OEToolkits 1.5.0CCCC(CCC)C(=O)O
Name:2-PROPYL-PENTANOIC ACID
ChEMBL: CHEMBL109
DrugBank: DB00313
ZINC: ZINC000003008621
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).