Lysophosphatidylinositol
PubChem CID: 73755067
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| Compound Synonyms | lysophosphatidylinositol, lysoPI, LPI, lysophosphatidylinositols, L-alpha-lysophosphatidylinositol, ((2S)-2-hydroxy-3-(hydroxy-((2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl)oxypropyl) acetate, [(2S)-2-hydroxy-3-[hydroxy-[(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] acetate, GTPL4028, Q27083326 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 203.0 |
| Hydrogen Bond Donor Count | 7.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Cyclitols |
| Deep Smiles | O[C@@H]COC=O)C))))COP=O)OC[C@H]O)[C@H]O)C[C@@H][C@H]6O))O))O))))))O |
| Heavy Atom Count | 24.0 |
| Classyfire Class | Glycerophospholipids |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Glycerophosphoinositols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 456.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | [(2S)-2-hydroxy-3-[hydroxy-[(2R,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] acetate |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | -5.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C11H21O12P |
| Scaffold Graph Node Bond Level | C1CCCCC1 |
| Inchi Key | FBDBXJJQMHPGMP-FNFFQOHASA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 8.0 |
| Synonyms | lysophosphatidylinositol |
| Esol Class | Highly soluble |
| Functional Groups | CO, COC(C)=O, COP(=O)(O)OC |
| Compound Name | Lysophosphatidylinositol |
| Exact Mass | 376.077 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 376.077 |
| Hydrogen Bond Acceptor Count | 12.0 |
| Molecular Weight | 376.25 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | False |
| Inchi | InChI=1S/C11H21O12P/c1-4(12)21-2-5(13)3-22-24(19,20)23-11-9(17)7(15)6(14)8(16)10(11)18/h5-11,13-18H,2-3H2,1H3,(H,19,20)/t5-,6?,7-,8+,9+,10+,11?/m0/s1 |
| Smiles | CC(=O)OC[C@@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)O |
| Np Classifier Biosynthetic Pathway | Carbohydrates |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Polyols |
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