SEQ2FUN

BioLiP

PDB CCD ID: 5HD
Number of entries in BioLiP: 1
Chemical formula: C11 H24 O3
InChI: InChI=1S/C11H24O3/c12-8-3-1-5-11(7-10-14)6-2-4-9-13/h11-14H,1-10H2
InChIKey: VICIXNZSEUYGFV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		OCCCCC(CCO)CCCCO
OpenEye OEToolkits 1.5.0C(CCO)CC(CCCCO)CCO
Name:5-(2-hydroxyethyl)nonane-1,9-diol
DrugBank: DB07171
ZINC: ZINC000053683860
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).