SEQ2FUN

BioLiP

PDB CCD ID: UOC
Number of entries in BioLiP: 8
Chemical formula: C11 H22 O
InChI: InChI=1S/C11H22O/c1-3-4-5-6-7-8-9-10-11(2)12/h3-10H2,1-2H3
InChIKey: KYWIYKKSMDLRDC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(CCCCCCCCC)C
OpenEye OEToolkits 1.5.0CCCCCCCCCC(=O)C
CACTVS 3.341CCCCCCCCCC(C)=O
Name:undecan-2-one
ChEMBL: CHEMBL1236582
DrugBank: DB08688
ZINC: ZINC000001529305
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).