SEQ2FUN

BioLiP

PDB CCD ID: PNR
Number of entries in BioLiP: 3
Chemical formula: C22 H35 N O4
InChI: InChI=1S/C22H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(24)27-21-18-16-20(17-19-21)23(25)26/h16-19H,2-15H2,1H3
InChIKey: LVZSQWIWCANHPF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(Oc1ccc(cc1)[N+]([O-])=O)CCCCCCCCCCCCCCC
OpenEye OEToolkits 1.7.6CCCCCCCCCCCCCCCC(=O)Oc1ccc(cc1)[N+](=O)[O-]
CACTVS 3.385CCCCCCCCCCCCCCCC(=O)Oc1ccc(cc1)[N+]([O-])=O
Name:4-nitrophenyl hexadecanoate;
paranitrophenyl palmitate
ZINC: ZINC000076945641
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).