SEQ2FUN

BioLiP

PDB CCD ID: N1P
Number of entries in BioLiP: 1
Chemical formula: C3 H7 N O2
InChI: InChI=1S/C3H7NO2/c1-2-3-4(5)6/h2-3H2,1H3
InChIKey: JSZOAYXJRCEYSX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CCC[N+](=O)[O-]
CACTVS 3.385CCC[N+]([O-])=O
ACDLabs 12.01[O-][N+](=O)CCC
Name:1-nitropropane
ChEMBL: CHEMBL1449933
ZINC: ZINC000001693429
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).