Lysophosphatidylethanolamine
PubChem CID: 73755142
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| Compound Synonyms | lysophosphatidylethanolamine, monoacylglycerophosphoethanolamine, [(2R)-3-acetyloxy-2-hydroxypropyl] 2-aminoethyl phosphate, lysophosphatidyl ethanolamine, ((2R)-3-acetyloxy-2-hydroxypropyl) 2-aminoethyl phosphate, lyso-phosphatidyl ethanolamine, GTPL5652, CHEBI:64574, Q27083314 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 131.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | True |
| Deep Smiles | [O-]P=O)OCCN))))OC[C@@H]COC=O)C))))O |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Glycerophospholipids |
| Classyfire Subclass | Glycerophosphoethanolamines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 251.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | [(2R)-3-acetyloxy-2-hydroxypropyl] 2-aminoethyl phosphate |
| Prediction Hob | 0.0 |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | -2.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C7H15NO7P- |
| Prediction Swissadme | 0.0 |
| Inchi Key | CWRILEGKIAOYKP-SSDOTTSWSA-M |
| Silicos It Class | Soluble |
| Fcsp3 | 0.8571428571428571 |
| Rotatable Bond Count | 9.0 |
| Synonyms | iysophosphatidyl ethanolamine, lysophosphatidylethanolamine |
| Esol Class | Highly soluble |
| Functional Groups | CN, CO, COC(C)=O, COP(=O)([O-])OC |
| Compound Name | Lysophosphatidylethanolamine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 256.059 |
| Formal Charge | -1.0 |
| Monoisotopic Mass | 256.059 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 256.17 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | 2.2968398000000008 |
| Inchi | InChI=1S/C7H16NO7P/c1-6(9)13-4-7(10)5-15-16(11,12)14-3-2-8/h7,10H,2-5,8H2,1H3,(H,11,12)/p-1/t7-/m1/s1 |
| Smiles | CC(=O)OC[C@H](COP(=O)([O-])OCCN)O |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
- 1. Outgoing r'ship
FOUND_INto/from Apium Graveolens (Plant) Rel Props:Reference:ISBN:9788185042145 - 2. Outgoing r'ship
FOUND_INto/from Cuminum Cyminum (Plant) Rel Props:Reference:ISBN:9788171360536 - 3. Outgoing r'ship
FOUND_INto/from Tamarindus Indica (Plant) Rel Props:Reference:ISBN:9788172363178 - 4. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all