EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:90579 - 2-[(5Z,8Z,11Z)-icosatrienoyl]-sn-glycero-3-phosphoethanolamine

ChEBI IDCHEBI:90579
ChEBI Name2-[(5Z,8Z,11Z)-icosatrienoyl]-sn-glycero-3-phosphoethanolamine
Stars
ASCII Name2-[(5Z,8Z,11Z)-icosatrienoyl]-sn-glycero-3-phosphoethanolamine
DefinitionA lysophosphatidylethanolamine 20:3 in which the acyl group is specified as (5Z,8Z,11Z)-icosatrienoyl and is located at position 2.
Last Modified16 November 2016
Submittermwilliams
DownloadsMolfile
FormulaC25H46NO7P
Net Charge0
Average Mass503.617
Monoisotopic Mass503.30119
SMILESCCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](CO)COP(=O)(O)OCCN
InChIInChI=1S/C25H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)33-24(22-27)23-32-34(29,30)31-21-20-26/h9-10,12-13,15-16,24,27H,2-8,11,14,17-23,26H2,1H3,(H,29,30)/b10-9-,13-12-,16-15-/t24-/m1/s1
InChIKeyFJDVENKXPUIXRG-WMTBOZPISA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090)
- PubMed (25114169)
- MetaboLights (MTBLS334)
Roles Classification
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
2-[(5Z,8Z,11Z)-icosatrienoyl]-sn-glycero-3-phosphoethanolamine (CHEBI:90579) has functional parent (5Z,8Z,11Z)-icosatrienoic acid (CHEBI:72865)
2-[(5Z,8Z,11Z)-icosatrienoyl]-sn-glycero-3-phosphoethanolamine (CHEBI:90579) has role mouse metabolite (CHEBI:75771)
2-[(5Z,8Z,11Z)-icosatrienoyl]-sn-glycero-3-phosphoethanolamine (CHEBI:90579) is a 2-acyl-sn-glycero-3-phosphoethanolamine (CHEBI:28936)
2-[(5Z,8Z,11Z)-icosatrienoyl]-sn-glycero-3-phosphoethanolamine (CHEBI:90579) is a lysophosphatidylethanolamine 20:3 (CHEBI:72735)
IUPAC Name 
(2R)-1-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-3-hydroxypropan-2-yl (5Z,8Z,11Z)-icosa-5,8,11-trienoate
Synonyms  Source
LysoPE(0:0/20:3(5Z,8Z,11Z))ChEBI
lyso-PE(0:0/20:3n9)HMDB
lyso-PE(0:0/20:3)HMDB
LPE(20:3)HMDB
LysoPE(0:0/20:3w9)HMDB
(5Z,8Z,11Z-Eicosatrienoyl)-lysophosphatidylethanolamineHMDB
Manual XrefsDatabases
24769366ChemSpider
HMDB0011485HMDB
Citations