SEQ2FUN

BioLiP

PDB CCD ID: A1EMH
Number of entries in BioLiP: 0
Chemical formula: C10 H18 O7
InChI: InChI=1S/C10H18O7/c11-9(12)1-3-15-5-7-17-8-6-16-4-2-10(13)14/h1-8H2,(H,11,12)(H,13,14)
InChIKey: WFLUHYUKINZPNZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)CCOCCOCCOCCC(O)=O
OpenEye OEToolkits 2.0.7C(COCCOCCOCCC(=O)O)C(=O)O
Name:3-[2-[2-(3-hydroxy-3-oxopropyloxy)ethoxy]ethoxy]propanoic acid;
Bis-PEG3-acid
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).