SEQ2FUN

BioLiP

PDB CCD ID: HEZ
Number of entries in BioLiP: 0
Chemical formula: C6 H14 O2
InChI: InChI=1S/C6H14O2/c7-5-3-1-2-4-6-8/h7-8H,1-6H2
InChIKey: XXMIOPMDWAUFGU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CCCO)CCO
ACDLabs 10.04
CACTVS 3.341		OCCCCCCO
Name:HEXANE-1,6-DIOL
ChEMBL: CHEMBL458616
DrugBank: DB02210
ZINC: ZINC000001555566
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).