HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Compound PGV

Identifiers

  • Canonical SMILES: 
    CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](O)(=O)OC[C@@H](O)CO)OC(=O)CCCCCCCCC\C=C/CCCCCC
  • IUPAC name: 
    (1R)-2-{[(R)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (11Z)-octadec-11-enoate
  • InChi: 
    InChI=1S/C40H77O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h13,15,37-38,41-42H,3-12,14,16-36H2,1-2H3,(H,45,46)/b15-13-/t37-,38+/m0/s1
  • InChiKey: 
    ADYWCMPUNIVOEA-GPJPVTGXSA-N

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

5289145

RNA-SM complexes

PDB code Deposition date Reference publication
4v6m Feb. 8, 2011 Frauenfeld Jens, Gumbart James, Sluis Eli O van der, Funes Soledad, Gartmann Marco, Beatrix Birgitta, Mielke Thorsten, Berninghausen Otto, Becker Thomas, Schulten Klaus, Beckmann Roland. . Cryo-EM structure of the ribosome–SecYE complex in the membrane environment Nature Structural & Molecular Biology

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 748.53 g/mol
HBA 9
HBD 3
HBA + HBD
AlogP 10.45
TPSA 148.82
RB 39

Radar chart