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CHEBI:84844 - 1,2-di-[(9E)-octadecenoyl]-sn-glycero-3-phosphoethanolamine

ChEBI IDCHEBI:84844
ChEBI Name1,2-di-[(9E)-octadecenoyl]-sn-glycero-3-phosphoethanolamine
Stars
ASCII Name1,2-di-[(9E)-octadecenoyl]-sn-glycero-3-phosphoethanolamine
DefinitionA 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which both acyl substituents are specified as (9E)-octadecenoyl.
Last Modified23 October 2017
Submitternamrata
DownloadsMolfile
FormulaC41H78NO8P
Net Charge0
Average Mass744.048
Monoisotopic Mass743.54651
SMILESCCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C/CCCCCCCC
InChIInChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,39H,3-16,21-38,42H2,1-2H3,(H,45,46)/b19-17+,20-18+/t39-/m1/s1
InChIKeyMWRBNPKJOOWZPW-GPADLTIESA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - MetaboLights (MTBLS143)
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
1,2-di-[(9E)-octadecenoyl]-sn-glycero-3-phosphoethanolamine (CHEBI:84844) has role mouse metabolite (CHEBI:75771)
1,2-di-[(9E)-octadecenoyl]-sn-glycero-3-phosphoethanolamine (CHEBI:84844) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
(2R)-3-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(9E)-octadec-9-enoyloxy]propyl (9E)-octadec-9-enoate
Synonyms  Source
PE(18:1(9E)/18:1(9E))LIPID MAPS
PE(18:1/18:1)LIPID MAPS
Manual XrefsDatabases
LMGP02010039LIPID MAPS