CHEBI:84837 - 1-octadecanoyl-2-(5E,8E,11E,14E-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine

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ChEBI Name 1-octadecanoyl-2-(5E,8E,11E,14E-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine
ChEBI ID CHEBI:84837
ChEBI ASCII Name 1-octadecanoyl-2-(5E,8E,11E,14E-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine
Definition A 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the acyl substituents at positions 1 and 2 are specified as octadecanoyl (stearoyl) and (5E,8E,11E,14E)-eicosatetraenoyl respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C43H78NO8P
Net Charge 0
Average Mass 768.05510
Monoisotopic Mass 767.54651
InChI InChI=1S/C43H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,28,30,41H,3-10,12,14-16,18,20-21,23,25-27,29,31-40,44H2,1-2H3,(H,47,48)/b13-11+,19-17+,24-22+,30-28+/t41-/m1/s1
InChIKey ANRKEHNWXKCXDB-GKGUFKCQSA-N
SMILES CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCC\C=C\C\C=C\C\C=C\C\C=C\CCCCC
Metabolite of Species Details
Mus musculus (NCBI:txid10090) See: MetaboLights Study
Roles Classification
Biological Role(s): ceramide allergen
Any ceramide which causes the onset of an allergic reaction.
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
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ChEBI Ontology
Outgoing 1-octadecanoyl-2-(5E,8E,11E,14E-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine (CHEBI:84837) has functional parent octadecanoic acid (CHEBI:28842)
1-octadecanoyl-2-(5E,8E,11E,14E-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine (CHEBI:84837) has role ceramide allergen (CHEBI:143252)
1-octadecanoyl-2-(5E,8E,11E,14E-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine (CHEBI:84837) has role mouse metabolite (CHEBI:75771)
1-octadecanoyl-2-(5E,8E,11E,14E-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine (CHEBI:84837) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name
(21R)-27-amino-24-hydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaheptacosan-21-yl (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoate
Synonyms Sources
PE(18:0/20:4(5E,8E,11E,14E)) LIPID MAPS
PE(18:0/20:4) LIPID MAPS
Manual Xref Database
LMGP02010129 LIPID MAPS
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Last Modified
12 March 2019