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BioLiP

PDB CCD ID: A1IWT
Number of entries in BioLiP: 1
Chemical formula: C3 H7 N3 O
InChI: InChI=1S/C3H7N3O/c4-2(5)1-3(6)7/h1H2,(H3,4,5)(H2,6,7)
InChIKey: RGXJMLZFKIUGNH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7[H]/N=C(\CC(=O)N)/N
CACTVS 3.385NC(=N)CC(N)=O
OpenEye OEToolkits 2.0.7C(C(=N)N)C(=O)N
Name:3-azanyl-3-azanylidene-propanamide
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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