Edelfosine
PubChem CID: 1392
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | EDELFOSINE, 70641-51-9, ET-18-OMe, 1-O-Octadecyl-2-O-methyl-rac-glycero-3-phosphocholine, Edelfosine [INN], Edelfosina, ET 18-OCH3, Ro 14-5243, AlP, Racemic 1-O-octadecyl-2-O-methylglycero-3-phosphocholine, 1-Octadecyl-2-methylglycero-3-phosphorylcholine, rac-1-Octadecyl-2-methoxyglycero-3-phosphocholine, NSC-324368, NSC-343649, 2-methoxy-3-(octadecyloxy)propyl 2-(trimethylammonio)ethyl phosphate, 1Y6SNA8L5S, CHEMBL28509, 1-O-Octadecyl-2-O-methyl-rac-glyceryl-3-phosphorylcholine, DTXSID9045766, NIOSH/GA4029000, CHEBI:78652, NSC324368, 3,5,9-Trioxa-4-phosphaheptacosan-1-aminium, 4-hydroxy-7-methoxy-N,N,N-trimethyl-, hydroxide, inner salt, 4-oxide, (+-)-, 65492-82-2, GA40290000, rac-1-Octadecyl-2-methoxy-glycerophosphocholine, Choline hydroxide, (+-)-2-methoxy-3-(octadecyloxy)propyl hydrogen phosphate, inner salt, Edelfosinum, Edelfosinum [INN-Latin], Edelfosina [INN-Spanish], Choline hydroxide, 2-methoxy-3-(octadecyloxy)propyl hydrogen phosphate, inner salt, 3,5,9-Trioxa-4-phosphaheptacosan-1-aminium, 4-hydroxy-7-methoxy-N,N,N-trimethyl-, inner salt, 4-oxide, (+/-)-, 1-Octadecyl-2-methylphosphorylcholine, 1-Octadecyl-2-methylglycero-3-phosphocholine, UNII-1Y6SNA8L5S, BRN 4358577, Choline, 1-octadecyl-2-methoxy-3-phosphoryl-, PHOSPHORYLCHOLINE, 1-OCTADECYL-2-METHYL- (ALP), NCGC00093851-01, 3,9-Trioxa-4-phosphaheptacosan-1-aminium, 4-hydroxy-7-methoxy-N,N,N-trimethyl-, hydroxide, inner salt, 4-oxide, MFCD00135190, NSC 324368, 2-[hydroxy-(2-methoxy-3-octadecoxy-propoxy)phosphoryl]oxyethyl-trimethyl-ammonium, (2-methoxy-3-octadecoxypropyl) 2-(trimethylazaniumyl)ethyl phosphate, SCHEMBL52069, ET-18-O Me, Edelfosine, >=95% (HPLC), DTXCID401300168, GLXC-25652, (+/-)-ET-18-OMe, CMC_9491, Tox21_111225, BDBM50011796, NSC343649, (+/-)-ET-18-OCH3, HY-108610A, NSC 343649, Ro-14-5243, 3,5,9-Trioxa-4-phosphaheptacosan-1-aminium, 4-hydroxy-7-methoxy-N,N,N-trimethyl-, inner salt, 4-oxide, FO111151, CAS-70641-51-9, DB-082060, CS-0079514, NS00123442, Q3579094, 1-octadecyl-2-methoxy-rac-glycero-3-phosphocholine(ET-18-OMe), 2-Methoxy-3-(octadecyloxy)propyl (2-(trimethylammonio)ethyl) phosphate, 2-methoxy-3-(octadecyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate, {2-[Hydroxy-(2-methoxy-3-octadecyloxy-propoxy)-phosphoryloxy]-ethyl}-trimethyl-ammonium, Phosphoric acid 2-dimethylamino-ethyl ester 2-methoxy-3-octadecyloxy-propyl ester, ammonium, Phosphoric acid 2-trimethylamino-ethyl ester 2-methoxy-3-octadecyloxy-propyl ester, {2-[Hydroxy-(2-methoxy-3-octadecyloxy-propoxy)-phosphoryloxy]-ethyl}-trimethyl-ammonium(ET-18-OMe), 3,5,9-Trioxa-4-phosphaheptacosan-1-aminium, 4-hydroxy-7-methoxy-N,N,N-trimethyl-, inner salt, 4-oxide (9CI), 3,5,9-Trioxa-4-phosphaheptacosan-1-aminium,4-hydroxy-N,N,N-trimethyl-, hydroxide,inner salt,4-oxide, CHOLINE HYDROXIDE, (+/-)-2-METHOXY-3-(OCTADECYLOXY)PROPYL HYDROGEN PHOSPHATE, INNER SALT, ethanaminium, 2-[[hydroxy[2-methoxy-3-(octadecyloxy)propoxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt |
|---|---|
| Topological Polar Surface Area | 77.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | MHFRGQHAERHWKZ-UHFFFAOYSA-N |
| Rotatable Bond Count | 27.0 |
| Synonyms | (+/-)-ET-18-OCH3, (+/-)-ET-18-OMe, 1-O-Octadecyl-2-methyl-3-phosphatidylcholine, 1-O-Octadecyl-2-O-methyl-rac-glycero-3-phosphocholine, 1-O-Octadecyl-2-O-methyl-rac-glycero-3-phosphorylcholine, 1-O-Octadecyl-2-O-methyl-rac-glyceryl-3-phosphorylcholine, 1-Octadecyl-2-methoxy-sn-glycero-3-phosphorylcholine, 1-Octadecyl-2-methoxyglycero-3-phosphorylcholine, 1-Octadecyl-2-methyl-sn-glycero-3-phosphocholine, 1-Octadecyl-2-methylglycero-3-phosphocholine, 1-Octadecyl-2-methylglycero-3-phosphorylcholine, 1-Octadecyl-2-methylphosphorylcholine, 2-methoxy-PAF, Alkyl-lysophospholipid, ALP, Choline, 1-octadecyl-2-methoxy-3-phosphoryl-, Edelfosina, Edelfosine, Edelfosine [inn], Edelfosine, (+-)-isomer, Edelfosinum, ET 18-OCH3, ET-18-O Me, ET-18-O-Methyl, ET-18-Och(3), Et-18-OCH3, ET-18-OMe, ET18-Ome, Ether lipid, PHOSPHORYLCHOLINE, 1-OCTADECYL-2-METHYL- (ALP), rac-1-Octadecyl-2-methoxyglycero-3-phosphocholine, Racemic 1-O-octadecyl-2-O-methylglycero-3-phosphocholine |
| Heavy Atom Count | 35.0 |
| Compound Name | Edelfosine |
| Description | Phasin, also known as 1-O-octadecyl-2-O-methyl-glycero-phosphocholine or L-et-18-och3, is a member of the class of compounds known as dialkylglycerol-3-phosphocholines. Dialkylglycerol-3-phosphocholines are glycerophosphocholines in which the glycerol moiety is bonded to two aliphatic (saturated or unsaturated) chains through ether linkages. Phasin is practically insoluble (in water) and a moderately acidic compound (based on its pKa). Phasin can be found in soy bean, which makes phasin a potential biomarker for the consumption of this food product. |
| Exact Mass | 523.4 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 523.4 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 492.0 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 523.7 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2-methoxy-3-octadecoxypropyl) 2-(trimethylazaniumyl)ethyl phosphate |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C27H58NO6P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-32-25-27(31-5)26-34-35(29,30)33-24-22-28(2,3)4/h27H,6-26H2,1-5H3 |
| Smiles | CCCCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC |
| Xlogp | 7.6 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C27H58NO6P |
- 1. Outgoing r'ship
FOUND_INto/from Glycine Max (Plant) Rel Props:Source_db:fooddb_chem_all