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BioLiP

PDB CCD ID: 54L
Number of entries in BioLiP: 0
Chemical formula: C5 H6 O2
InChI: InChI=1S/C5H6O2/c1-2-3-4-5(6)7/h1H,3-4H2,(H,6,7)
InChIKey: MLBYLEUJXUBIJJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)CCC#C
ACDLabs 12.01C(CCC#C)(=O)O
OpenEye OEToolkits 1.9.2C#CCCC(=O)O
Name:pent-4-ynoic acid
ZINC: ZINC000002034206
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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