Phosphatidylethanolamine
PubChem CID: 5327011
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| Compound Synonyms | Cephalin, 1334474-30-4, 7CMB6B4449, Phosphatidylethanolamine [USP-RS], Phosphatidylethanolamine [WHO-DD], [(2R)-2-acetyloxy-3-[2-aminoethoxy(hydroxy)phosphoryl]oxypropyl] acetate, UNII-7CMB6B4449, Phosphoric acid, mono(2-aminoethyl) mono((2R)-2,3-bis(acetyloxy)propyl) ester, PHOSPHATIDYLETHANOLAMINE (USP-RS), 2-azaniumylethyl ((2R)-2,3-diacetyloxypropyl) phosphate, 2-azaniumylethyl [(2R)-2,3-diacetyloxypropyl] phosphate, Cephalinex, Cephalins, Kephalins, STA Cephascreen, ((2R)-2-acetyloxy-3-(2-aminoethoxy(hydroxy)phosphoryl)oxypropyl) acetate, (2-azaniumylethoxy)((2S)-2,3-bis(octadecanoyloxy)propoxy)phosphinic acid, (2-azaniumylethoxy)[(2S)-2,3-bis(octadecanoyloxy)propoxy]phosphinic acid, Phospholipid Ethanolamine, phosphatidyl(amino)ethanols, (3-Phosphatidyl)ethanolamine, (3-Phosphatidyl)-ethanolamine, SCHEMBL5959467, CHEBI:16038, DTXSID90960063, EINECS 254-438-4, 1-Acyl-2-acyl-sn-glycero-3-phosphoethanolamine, O-(1-beta-acyl-2-acyl-sn-glycero-3-phospho)-ethanolamine, O-(1-beta-Acyl-2-acyl-sn-glycero-3-phospho)ethanolamine, 254-438-4 |
|---|---|
| Topological Polar Surface Area | 134.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 347.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | [(2R)-2-acetyloxy-3-[2-aminoethoxy(hydroxy)phosphoryl]oxypropyl] acetate |
| Nih Violation | False |
| Prediction Hob | 0.0 |
| Xlogp | -4.4 |
| Is Pains | False |
| Molecular Formula | C9H18NO8P |
| Prediction Swissadme | 0.0 |
| Inchi Key | CFWRDBDJAOHXSH-SECBINFHSA-N |
| Fcsp3 | 0.7777777777777778 |
| Rotatable Bond Count | 11.0 |
| Compound Name | Phosphatidylethanolamine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 299.077 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 299.077 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 299.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.7965607999999995 |
| Inchi | InChI=1S/C9H18NO8P/c1-7(11)15-5-9(18-8(2)12)6-17-19(13,14)16-4-3-10/h9H,3-6,10H2,1-2H3,(H,13,14)/t9-/m1/s1 |
| Smiles | CC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all