Oleoyl
PubChem CID: 5353734
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| Compound Synonyms | oleoyl, CHEMBL191896, SCHEMBL23091391 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 116.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | True |
| Np Classifier Class | Glycerophosphates |
| Deep Smiles | CCCCCCCC/C=C/CCCCCCCC=O)OCCCOP=O)O)[O-]))))O.[Na+] |
| Heavy Atom Count | 30.0 |
| Classyfire Class | Glycerophospholipids |
| Classyfire Subclass | Glycerophosphates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 474.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | sodium, [2-hydroxy-3-[(E)-octadec-9-enoyl]oxypropyl] hydrogen phosphate |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Gsk 4 400 Rule | False |
| Molecular Formula | C21H40NaO7P |
| Inchi Key | XGRLSUFHELJJAB-RRABGKBLSA-M |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 21.0 |
| Synonyms | oleoyl |
| Esol Class | Moderately soluble |
| Functional Groups | C/C=C/C, CO, COC(C)=O, COP(=O)([O-])O, [Na+] |
| Compound Name | Oleoyl |
| Exact Mass | 458.241 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 458.241 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 458.5 |
| Gi Absorption | False |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| 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+, |
| Smiles | CCCCCCCC/C=C/CCCCCCCC(=O)OCC(COP(=O)(O)[O-])O.[Na+] |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Np Classifier Superclass | Glycerophospholipids |
- 1. Outgoing r'ship
FOUND_INto/from Medicago Sativa (Plant) Rel Props:Reference:ISBN:9788185042138