2,3-Dihydroxypropyl dihydrogen phosphate
PubChem CID: 45109789
Connections displayed (default: 10).
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| Compound Synonyms | phosphatidylglycerol, CFDCE451-E1B6-4365-BF15-6D6AD0FD4320 |
|---|---|
| Topological Polar Surface Area | 127.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 16.0 |
| Description | Phosphatidylglycerol is a member of the class of compounds known as glycerophosphates. Glycerophosphates are compounds containing a glycerol linked to a phosphate group. Phosphatidylglycerol is soluble (in water) and a moderately acidic compound (based on its pKa). Phosphatidylglycerol can be found in a number of food items such as green bell pepper, fig, papaya, and carrot, which makes phosphatidylglycerol a potential biomarker for the consumption of these food products. Approximately 98% of alveolar wall surface area is due to the presence of type I cells, with type II cells producing pulmonary surfactant covering around 2% of the alveolar walls. Once surfactant is secreted by the type II cells, it must be spread over the remaining type I cellular surface area. Phosphatidylglycerol is thought to be important in spreading of surfactant over the Type I cellular surface area. The major surfactant deficiency in premature infants relates to the lack of phosphatidylglycerol, even though it comprises less than 5% of pulmonary surfactant phospholipids. It is synthesized by head group exchange of a phosphatidylcholine enriched phospholipid using the enzyme phospholipase D . |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 132.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3-dihydroxypropyl dihydrogen phosphate, ethanol, propane |
| Prediction Hob | 0.0 |
| Class | Glycerophospholipids |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Glycerophosphates |
| Molecular Formula | C8H23O7P |
| Prediction Swissadme | 0.0 |
| Inchi Key | GDQGIGPGALPYCN-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | 0.477 |
| Rotatable Bond Count | 4.0 |
| Logd | -1.773 |
| Compound Name | 2,3-Dihydroxypropyl dihydrogen phosphate, ethanol, propane |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 262.118 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 262.118 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 262.24 |
| Covalent Unit Count | 3.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.5025817999999996 |
| Inchi | InChI=1S/C3H9O6P.C3H8.C2H6O/c4-1-3(5)2-9-10(6,7)8, 1-3-2, 1-2-3/h3-5H,1-2H2,(H2,6,7,8), 3H2,1-2H3, 3H,2H2,1H3 |
| Smiles | CCC.CCO.C(C(COP(=O)(O)O)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Glycerophosphates |
- 1. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Carica Papaya (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Cucumis Sativus (Plant) Rel Props:Source_db:fooddb_chem_all - 4. Outgoing r'ship
FOUND_INto/from Daucus Carota (Plant) Rel Props:Source_db:fooddb_chem_all - 5. Outgoing r'ship
FOUND_INto/from Ficus Carica (Plant) Rel Props:Source_db:fooddb_chem_all - 6. Outgoing r'ship
FOUND_INto/from Glycine Max (Plant) Rel Props:Source_db:fooddb_chem_all - 7. Outgoing r'ship
FOUND_INto/from Hippophae Rhamnoides (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Lycopersicon Esculentum (Plant) Rel Props:Source_db:fooddb_chem_all - 9. Outgoing r'ship
FOUND_INto/from Malus Domestica (Plant) Rel Props:Source_db:fooddb_chem_all - 10. Outgoing r'ship
FOUND_INto/from Malus Pumila (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Portulaca Oleracea (Plant) Rel Props:Source_db:fooddb_chem_all - 12. Outgoing r'ship
FOUND_INto/from Spinacia Oleracea (Plant) Rel Props:Source_db:fooddb_chem_all