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BioLiP

PDB CCD ID: TEG
Number of entries in BioLiP: 2
Chemical formula: C6 H12 O5
InChI: InChI=1S/C6H12O5/c7-1-2-10-3-4-11-5-6(8)9/h7H,1-5H2,(H,8,9)
InChIKey: PRBXPAHXMGDVNQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OCCOCCOCC(O)=O
OpenEye OEToolkits 1.9.2C(COCCOCC(=O)O)O
ACDLabs 12.01C(=O)(O)COCCOCCO
Name:[2-(2-hydroxyethoxy)ethoxy]acetic acid
ZINC: ZINC000110906804
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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