SEQ2FUN

BioLiP

PDB CCD ID: B0U
Number of entries in BioLiP: 1
Chemical formula: C9 H19 N O5
InChI: InChI=1S/C9H19NO5/c10-2-4-14-6-8-15-7-5-13-3-1-9(11)12/h1-8,10H2,(H,11,12)
InChIKey: XUQZKSCQPMNDEY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6C(COCCOCCOCCN)C(=O)O
CACTVS 3.385NCCOCCOCCOCCC(O)=O
Name:3-[2-[2-(2-azanylethoxy)ethoxy]ethoxy]propanoic acid
ZINC: ZINC000035923817
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).