Basic information
- Standard SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@H](COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)(O)OCCN- InChIKey
VVTZPUOTGORIFV-LRYPQJNHSA-N- Molecular formula
- C49H78NO8P
- Average molar mass
- 840.1 g/mol
- Monoisotopic mass
- 839.54650544
Names & identifiers
- Preferred name
- PE(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))
- IUPAC
- [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyl]oxypropyl] (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate
Names & synonyms
DTXSID801343849GPEtn(22:5n6/22:5n3)GPEtn(22:5w6/22:5w3)PE(22:5n6/22:5n3)PE(22:5w6/22:5w3)Phophatidylethanolamine(22:5n6/22:5n3)Phophatidylethanolamine(22:5w6/22:5w3)1-osbondoyl-2-docosapentaenoyl-sn-glycero-3-phosphoethanolaminePE(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-docosapentaenoyloxy]propyl (4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-docosapentaenoate
Database identifiers
- PubChem CID
- 53479934
- DTXSID
DTXSID801343849
Properties
Computed structural properties
- XLogP
- 9.6
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 41
- Heavy atoms
- 59
- Formal charge
- 0
- Complexity
- 1,370
Experimental & physicochemical properties
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Tissue LocationsAll Tissues
Cellular LocationsExtracellular
Metabolite PathwaysPhosphatidylcholine Biosynthesis PC(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…