SEQ2FUN

BioLiP

PDB CCD ID: CYH
Number of entries in BioLiP: 5
Chemical formula: C6 H10 O
InChI: InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2
InChIKey: JHIVVAPYMSGYDF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		O=C1CCCCC1
OpenEye OEToolkits 1.5.0C1CCC(=O)CC1
Name:CYCLOHEXANONE
ChEMBL: CHEMBL18850
DrugBank: DB02060
ZINC: ZINC000004528575
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).