SEQ2FUN

BioLiP

PDB CCD ID: OYA
Number of entries in BioLiP: 8
Chemical formula: C8 H16 O
InChI: InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3
InChIKey: NUJGJRNETVAIRJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=CCCCCCCC
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCCCCCC=O
Name:OCTANAL;
OCTYL ALDEHYDE
ChEMBL: CHEMBL18407
ZINC: ZINC000001529222
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).