SEQ2FUN

BioLiP

PDB CCD ID: OCD
Number of entries in BioLiP: 4
Chemical formula: C18 H36 O
InChI: InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h18H,2-17H2,1H3
InChIKey: FWWQKRXKHIRPJY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01C(CCCCCCCCCCCCCCCCC)=O
CACTVS 3.385
OpenEye OEToolkits 2.0.5		CCCCCCCCCCCCCCCCCC=O
Name:octadecanal
ZINC: ZINC000008217412
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).