SEQ2FUN

BioLiP

PDB CCD ID: XPE
Number of entries in BioLiP: 0
Chemical formula: C20 H42 O11
InChI: InChI=1S/C20H42O11/c21-1-3-23-5-7-25-9-11-27-13-15-29-17-19-31-20-18-30-16-14-28-12-10-26-8-6-24-4-2-22/h21-22H,1-20H2
InChIKey: DTPCFIHYWYONMD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(COCCOCCOCCOCCOCCOCCOCCOCCOCCO)O
CACTVS 3.341OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
ACDLabs 10.04O(CCOCCOCCO)CCOCCOCCOCCOCCOCCOCCO
Name:3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL;
DECAETHYLENE GLYCOL
ZINC: ZINC000012501520
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).