OLEOYL

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Synonyms
Status
Molecule Category Mixture

Structure

InChI Key XGRLSUFHELJJAB-RRABGKBLSA-M
Smiles CCCCCCCC/C=C/CCCCCCCC(=O)OCC(O)COP(=O)([O-])O.[Na+]
InChI
InChI=1S/C21H41O7P.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26;/h9-10,20,22H,2-8,11-19H2,1H3,(H2,24,25,26);/q;+1/p-1/b10-9+;

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H40NaO7P
Molecular Weight 458.51
AlogP 5.04
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 20.0
Polar Surface Area 113.29
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 29.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
90 - - - -

Cross References

Resources Reference
ChEMBL CHEMBL189959
SureChEMBL SCHEMBL6359379
ChEMBL CHEMBL191896
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