SEQ2FUN

BioLiP

PDB CCD ID: LNA
Number of entries in BioLiP: 2
Chemical formula: C18 H31 N O4
InChI: InChI=1S/C18H31NO4/c1-2-3-4-5-8-11-14-17(19(22)23)15-12-9-6-7-10-13-16-18(20)21/h8,11,15H,2-7,9-10,12-14,16H2,1H3,(H,20,21)/b11-8-,17-15+
InChIKey: LELVHAQTWXTCLY-XYWKCAQWSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CCCCC\C=C/CC(=C/CCCCCCCC(O)=O)\[N+]([O-])=O
OpenEye OEToolkits 1.5.0CCCCC\C=C/C/C(=C\CCCCCCCC(=O)O)/[N+](=O)[O-]
OpenEye OEToolkits 1.5.0CCCCCC=CCC(=CCCCCCCCC(=O)O)[N+](=O)[O-]
CACTVS 3.341CCCCCC=CCC(=CCCCCCCCC(O)=O)[N+]([O-])=O
ACDLabs 10.04[O-][N+](=O)/C(=C/CCCCCCCC(=O)O)C\C=C/CCCCC
Name:(9E,12Z)-10-nitrooctadeca-9,12-dienoic acid
ZINC: ZINC000004654921
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).