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BioLiP

PDB CCD ID: 4NI
Number of entries in BioLiP: 1
Chemical formula: C4 H7 N O4
InChI: InChI=1S/C4H7NO4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)
InChIKey: SUFKNMKUIYHURJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CC(=O)O)C[N+](=O)[O-]
ACDLabs 10.04[O-][N+](=O)CCCC(=O)O
CACTVS 3.341OC(=O)CCC[N+]([O-])=O
Name:4-nitrobutanoic acid
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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