CAS 96998-01-5 appears in our catalog under these names: (2R)-1-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-3-(stearoyloxy)propan-2-yl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate, 18:0-22:6 PE, 1-Stearoyl-2-docosahexaenoyl-sn-glycero-3-phosphoethanolamine, 99.0%. Offered by: TRC, Sigma-Aldrich, MedChemExpress. Available pack sizes: 25mg, 1 mg (12.62 mM * 100 μL in Methanol:Chloroform (30:70) and 0.1% amylenes), 5 mg (12.62 mM * 500 μL in Methanol:Chloroform (30:70) and 0.1% amylenes).
1-octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the acyl substituents at positions 1 and 2 are specified as octadecanoyl and (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl respectively. It is functionally related to an all-cis-docosa-4,7,10,13,16,19-hexaenoic acid and an octadecanoic acid. It is a tautomer of a 1-octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine zwitterion.
Source: ChEBI
| Molecular formula | C45H78NO8P |
|---|---|
| Molecular weight | 792.1 g/mol |
| IUPAC name | [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-octadecanoyloxypropan-2-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate |
| InChIKey | XYYHNDVKALDFHQ-OXHZBIAZSA-N |
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC |
Computed by PubChem (NCBI)