SEQ2FUN

BioLiP

PDB CCD ID: PG0
Number of entries in BioLiP: 0
Chemical formula: C5 H12 O3
InChI: InChI=1S/C5H12O3/c1-7-4-5-8-3-2-6/h6H,2-5H2,1H3
InChIKey: SBASXUCJHJRPEV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		COCCOCCO
ACDLabs 10.04OCCOCCOC
Name:2-(2-METHOXYETHOXY)ETHANOL;
PEG 6000
ChEMBL: CHEMBL1235250
ZINC: ZINC000001577245
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).