SEQ2FUN

BioLiP

PDB CCD ID: ECE
Number of entries in BioLiP: 2
Chemical formula: C6 H10 O2
InChI: InChI=1S/C6H10O2/c7-6-4-2-1-3-5-8-6/h1-5H2
InChIKey: PAPBSGBWRJIAAV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=C1CCCCCO1
OpenEye OEToolkits 1.7.6C1CCC(=O)OCC1
ACDLabs 12.01O=C1OCCCCC1
Name:Caprolactone;
Oxepan-2-one;
Epsilon-Caprolactone
ChEMBL: CHEMBL373123
ZINC: ZINC000000388417
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).