Basic information
- Standard SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=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
IWZCRDQSSLJDNV-CXJUXISASA-N- Molecular formula
- C49H76NO8P
- Average molar mass
- 838.1 g/mol
- Monoisotopic mass
- 837.53085538
Overview
PE(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine.
Names & identifiers
- Preferred name
- PE(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
- IUPAC
- [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxypropyl] (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate
Names & synonyms
PE(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxypropyl] (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoateCHEBI:189957DTXSID501343838GPEtn(22:5n6/22:6n3)GPEtn(22:5w6/22:6w3)PE(22:5n6/22:6n3)PE(22:5w6/22:6w3)Phophatidylethanolamine(22:5n6/22:6n3)Phophatidylethanolamine(22:5w6/22:6w3)1-osbondoyl-2-docosahexaenoyl-sn-glycero-3-phosphoethanolamine
Database identifiers
- PubChem CID
- 53479935
- DTXSID
DTXSID501343838- ChEBI
CHEBI:189957
Properties
Computed structural properties
- XLogP
- 9.1
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 40
- Heavy atoms
- 59
- Formal charge
- 0
- Complexity
- 1,420
Experimental & physicochemical properties
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Tissue LocationsAll Tissues
Cellular LocationsExtracellular
Metabolite PathwaysPhosphatidylcholine Biosynthesis PC(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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