SEQ2FUN

BioLiP

PDB CCD ID: 3NP
Number of entries in BioLiP: 11
Chemical formula: C3 H5 N O4
InChI: InChI=1S/C3H5NO4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)
InChIKey: WBLZUCOIBUDNBV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C[N+](=O)[O-])C(=O)O
ACDLabs 10.04[O-][N+](=O)CCC(=O)O
CACTVS 3.341OC(=O)CC[N+]([O-])=O
Name:3-NITROPROPANOIC ACID
ChEMBL: CHEMBL451226
ZINC: ZINC000000895862
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).