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BioLiP Library

PDB CCD ID: A1ASB
Number of entries in BioLiP: 6
Chemical formula: C4 H10 N2 O
InChI: InChI=1S/C4H10N2O/c1-3(2)4(5)6-7/h3,7H,1-2H3,(H2,5,6)
InChIKey: JHRDEHLFNLLCQS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7[H]/N=C(/C(C)C)\NO
ACDLabs 12.01
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CC(C)C(=N)NO
Name:(1Z)-N-hydroxy-2-methylpropanimidamide
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)(download the PDF file).
  • 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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