Lysophosphatidylcholines
PubChem CID: 5311264
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| Compound Synonyms | Lysophosphatidylcholine, Lysophosphatidylcholines, 9008-30-4, [(2R)-3-acetyloxy-2-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate, 1-acetyl-sn-glycero-3-phosphocholine, UNII-CQD833204Z, Lysophosphatidylcholine, soybean, CQD833204Z, EINECS 232-715-0, PC(2:0/0:0), Lysolecithins, [(2R)-3-acetyloxy-2-hydroxypropyl] 2-trimethylazaniumylethyl phosphate, ((2R)-3-acetyloxy-2-hydroxypropyl) 2-(trimethylazaniumyl)ethyl phosphate, ((2R)-3-acetyloxy-2-hydroxypropyl) 2-trimethylazaniumylethyl phosphate, Lysophosphatidylcholines (egg), GTPL2508, monoacylglycero-3-phosphocholine, SCHEMBL19821626, CHEBI:60479, CHEBI:138424, RYCNUMLMNKHWPZ-SNVBAGLBSA-N, DTXSID001009142, LMGP01050043, DA-65168, L-, A-Lysophosphatidylcholine (from egg yolk), Q27083304, 232-715-0, 3,5,9-Trioxa-4-phosphaundecan-1-aminium, 4,7-dihydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide, (R)- |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 105.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | True |
| Np Classifier Class | Glycerophosphocholines |
| Deep Smiles | O[C@@H]COP=O)OCC[N+]C)C)C)))))[O-]))))COC=O)C |
| Heavy Atom Count | 19.0 |
| Classyfire Class | Glycerophospholipids |
| Classyfire Subclass | Glycerophosphocholines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 320.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | [(2R)-3-acetyloxy-2-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate |
| Prediction Hob | 0.0 |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | -1.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H22NO7P |
| Prediction Swissadme | 0.0 |
| Inchi Key | RYCNUMLMNKHWPZ-SNVBAGLBSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.9 |
| Rotatable Bond Count | 10.0 |
| Synonyms | choline, lysophosphatidyl, lysophosphatidylcholine |
| Esol Class | Highly soluble |
| Functional Groups | CO, COC(C)=O, COP(=O)([O-])OC, C[N+](C)(C)C |
| Compound Name | Lysophosphatidylcholines |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 299.113 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 299.113 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 299.26 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | 0.029288000000000092 |
| Inchi | InChI=1S/C10H22NO7P/c1-9(12)16-7-10(13)8-18-19(14,15)17-6-5-11(2,3)4/h10,13H,5-8H2,1-4H3/t10-/m1/s1 |
| Smiles | CC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Glycerophospholipids |
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FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all