SEQ2FUN

BioLiP

PDB CCD ID: PTD
Number of entries in BioLiP: 41
Chemical formula: C5 H8 O2
InChI: InChI=1S/C5H8O2/c6-4-2-1-3-5-7/h4-5H,1-3H2
InChIKey: SXRSQZLOMIGNAQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CC=O)CC=O
ACDLabs 10.04
CACTVS 3.341		O=CCCCC=O
Name:PENTANEDIAL
ChEMBL: CHEMBL1235482
DrugBank: DB03266
ZINC: ZINC000001729593
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).