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BioLiP

PDB CCD ID: A1IDH
Number of entries in BioLiP: 0
Chemical formula: C7 H9 N3 O2
InChI: InChI=1S/C7H9N3O2/c11-4-1-2-7-6-10(3-5-12)9-8-7/h4-6H,1-3H2
InChIKey: BBWAOGWKWYPUEC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=CCCc1cn(CC=O)nn1
OpenEye OEToolkits 2.0.7c1c(nnn1CC=O)CCC=O
Name:3-[1-(2-oxidanylideneethyl)-1,2,3-triazol-4-yl]propanal
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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