SEQ2FUN

BioLiP

PDB CCD ID: 1DO
Number of entries in BioLiP: 5
Chemical formula: C12 H26 O
InChI: InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3
InChIKey: LQZZUXJYWNFBMV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04OCCCCCCCCCCCC
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCCCCCCCCCCO
Name:1-DODECANOL
ChEMBL: CHEMBL24722
DrugBank: DB06894
ZINC: ZINC000001529403
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).