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BioLiP

PDB CCD ID: YWD
Number of entries in BioLiP: 0
Chemical formula: C6 H8 O3
InChI: InChI=1S/C6H8O3/c1-2-4-9-5-3-6(7)8/h1H,3-5H2,(H,7,8)
InChIKey: GMFDYXLFHSFUHE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C#CCOCCC(=O)O
CACTVS 3.385OC(=O)CCOCC#C
ACDLabs 12.01O=C(O)CCOCC#C
Name:3-[(prop-2-yn-1-yl)oxy]propanoic acid
ZINC: ZINC000001639909
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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