SEQ2FUN

BioLiP

PDB CCD ID: HHO
Number of entries in BioLiP: 0
Chemical formula: C9 H21 N O2
InChI: InChI=1S/C9H21NO2/c11-8-6-4-2-1-3-5-7-10-9-12/h10-12H,1-9H2
InChIKey: SJEVZMRZAJQYFZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CCCCO)CCCNCO
ACDLabs 10.04
CACTVS 3.341		OCCCCCCCCNCO
Name:1-(HYDROXYMETHYLENEAMINO)-8-HYDROXY-OCTANE
DrugBank: DB07897
ZINC: ZINC000006620299
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).