SEQ2FUN

BioLiP

PDB CCD ID: ONX
Number of entries in BioLiP: 0
Chemical formula: C40 H79 N O2
InChI: InChI=1S/C40H79NO2/c1-4-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-37-40(43)41-38(3)39(42)36-34-32-30-28-26-24-22-19-17-15-13-11-9-7-5-2/h34,36,38-39,42H,4-33,35,37H2,1-3H3,(H,41,43)/b36-34+/t38-,39+/m1/s1
InChIKey: OIYVZQWNTPVTQS-XWHBQUFFSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2CCCCCCCCCCCCCCCCCCCC(=O)N[C@H](C)[C@H](C=CCCCCCCCCCCCCCCC)O
CACTVS 3.385CCCCCCCCCCCCCCCCCCCC(=O)N[CH](C)[CH](O)C=CCCCCCCCCCCCCCCC
CACTVS 3.385CCCCCCCCCCCCCCCCCCCC(=O)N[C@H](C)[C@@H](O)/C=C/CCCCCCCCCCCCCCC
OpenEye OEToolkits 1.9.2CCCCCCCCCCCCCCCCCCCC(=O)NC(C)C(C=CCCCCCCCCCCCCCCC)O
Name:N-[(2R,3S)-3-oxidanylicos-4-en-2-yl]icosanamide
ZINC: ZINC000584905681
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).