Ester Of Phospholipid
PubChem CID: 44319037
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| Compound Synonyms | Ester of phospholipid, CHEMBL85557, (2-(decyl(hydroxy)phosphoryl)oxy-3-(10-methoxy-10-oxodecoxy)propyl) 2-(trimethylazaniumyl)ethyl phosphate, [2-[decyl(hydroxy)phosphoryl]oxy-3-(10-methoxy-10-oxodecoxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate, SCHEMBL25268771, BDBM50075320, (2-{[2-(Decyl-hydroxy-phosphinoyloxy)-3-(9-methoxycarbonyl-nonyloxy)-propoxy]-hydroxy-phosphoryloxy}-ethyl)-trimethyl-ammonium |
|---|---|
| Topological Polar Surface Area | 141.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 42.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 755.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q8NCC3 |
| Iupac Name | [2-[decyl(hydroxy)phosphoryl]oxy-3-(10-methoxy-10-oxodecoxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate |
| Prediction Hob | 0.0 |
| Target Id | NPT3178 |
| Xlogp | 5.1 |
| Molecular Formula | C29H61NO10P2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GUBMPMUEZUKTNI-UHFFFAOYSA-N |
| Fcsp3 | 0.9655172413793104 |
| Logs | 0.223 |
| Rotatable Bond Count | 31.0 |
| Logd | 1.408 |
| Compound Name | Ester Of Phospholipid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 645.377 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 645.377 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 645.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.092562400000001 |
| Inchi | InChI=1S/C29H61NO10P2/c1-6-7-8-9-10-14-17-20-25-41(32,33)40-28(27-39-42(34,35)38-24-22-30(2,3)4)26-37-23-19-16-13-11-12-15-18-21-29(31)36-5/h28H,6-27H2,1-5H3,(H-,32,33,34,35) |
| Smiles | CCCCCCCCCCP(=O)(O)OC(COCCCCCCCCCC(=O)OC)COP(=O)([O-])OCC[N+](C)(C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Changium Smyrnioides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all