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

ChEBI IDCHEBI:84837
ChEBI Name1-octadecanoyl-2-(5E,8E,11E,14E-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine
Stars
ASCII Name1-octadecanoyl-2-(5E,8E,11E,14E-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine
DefinitionA 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.
Last Modified12 March 2019
Submitternamrata
DownloadsMolfile
FormulaC43H78NO8P
Net Charge0
Average Mass768.070
Monoisotopic Mass767.54651
SMILESCCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN
InChIInChI=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
InChIKeyANRKEHNWXKCXDB-GKGUFKCQSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - MetaboLights (MTBLS143)
Roles Classification
Biological Roles:
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).
ChEBI Ontology
Outgoing Relation(s)
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  Source
PE(18:0/20:4)LIPID MAPS
PE(18:0/20:4(5E,8E,11E,14E))LIPID MAPS
Manual XrefsDatabases
LMGP02010129LIPID MAPS