Phosphatidylethanolamine(dm18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))
PubChem CID: 53480880
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Q65707094, PE(P-18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)), Phosphatidylethanolamine(dm18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)) |
|---|---|
| Prediction Swissadme | 0.0 |
| Topological Polar Surface Area | 117.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | RDLRIZLZWSNORN-FSOAWXQVSA-N |
| Fcsp3 | 0.6511627906976745 |
| Rotatable Bond Count | 38.0 |
| Synonyms | (3-Phosphatidyl)-ethanolamine, (3-Phosphatidyl)ethanolamine, 1-Acyl-2-acyl-sn-glycero-3-phosphoethanolamine, 1,2-diacyl-sn-glycero-3-phosphoethanolamine, Cephalin, O-(1-beta-Acyl-2-acyl-sn-glycero-3-phospho)ethanolamine, Phosphatidylethanolamines |
| Heavy Atom Count | 52.0 |
| Compound Name | Phosphatidylethanolamine(dm18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)) |
| Description | A class of glycerophospholipids in which a phosphatidyl group is esterified to the hydroxyl group of ethanolamine. (ChEBI). Phosphatidylethanolamine is found in many foods, some of which are sunflower, lemon, common grape, and spinach. |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 747.52 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 747.52 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1060.0 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 748.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(1Z,11Z)-octadeca-1,11-dienoxy]propan-2-yl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 7.0 |
| Prediction Hob | 0.0 |
| Esol | -7.923341799999998 |
| Inchi | InChI=1S/C43H74NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,22,24,28,30,35,38,42H,3-4,6,8-10,12,15,18,20-21,23,25-27,29,31-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b7-5-,13-11-,16-14-,19-17-,24-22-,30-28-,38-35-/t42-/m1/s1 |
| Smiles | CCCCCC/C=C\CCCCCCCC/C=C\OC[C@H](COP(=O)(O)OCCN)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC |
| Xlogp | 9.4 |
| Defined Bond Stereocenter Count | 7.0 |
| Molecular Formula | C43H74NO7P |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Limon (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Glycine Max (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Helianthus Annuus (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all - 4. Outgoing r'ship
FOUND_INto/from Lupinus Albus (Plant) Rel Props:Source_db:fooddb_chem_all - 5. Outgoing r'ship
FOUND_INto/from Pisum Sativum (Plant) Rel Props:Source_db:fooddb_chem_all - 6. Outgoing r'ship
FOUND_INto/from Sesamum Indicum (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all - 7. Outgoing r'ship
FOUND_INto/from Spinacia Oleracea (Plant) Rel Props:Source_db:fooddb_chem_all - 8. Outgoing r'ship
FOUND_INto/from Triticum Aestivum (Plant) Rel Props:Source_db:fooddb_chem_all - 9. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:fooddb_chem_all