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

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ChEBI Name 1,2-di-[(9E)-octadecenoyl]-sn-glycero-3-phosphoethanolamine
ChEBI ID CHEBI:84844
ChEBI ASCII Name 1,2-di-[(9E)-octadecenoyl]-sn-glycero-3-phosphoethanolamine
Definition A 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which both acyl substituents are specified as (9E)-octadecenoyl.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C41H78NO8P
Net Charge 0
Average Mass 744.03370
Monoisotopic Mass 743.54651
InChI InChI=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
InChIKey MWRBNPKJOOWZPW-GPADLTIESA-N
SMILES CCCCCCCC\C=C\CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C\CCCCCCCC
Metabolite of Species Details
Mus musculus (NCBI:txid10090) See: MetaboLights Study
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
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ChEBI Ontology
Outgoing 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 Sources
PE(18:1(9E)/18:1(9E)) LIPID MAPS
PE(18:1/18:1) LIPID MAPS
Manual Xref Database
LMGP02010039 LIPID MAPS
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Last Modified
23 October 2017