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CHEBI:90474 - 1-(1Z-hexadecenyl)-2-(8Z,11Z,14Z-icosatrienoyl)-sn-glycero-3-phosphoethanolamine

ChEBI IDCHEBI:90474
ChEBI Name1-(1Z-hexadecenyl)-2-(8Z,11Z,14Z-icosatrienoyl)-sn-glycero-3-phosphoethanolamine
Stars
ASCII Name1-(1Z-hexadecenyl)-2-(8Z,11Z,14Z-icosatrienoyl)-sn-glycero-3-phosphoethanolamine
DefinitionA 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine in which the alkyl and the acyl groups at positions 1 and 2 are specified as (1Z)-hexadecenyl and (8Z,11Z,14Z)-icosatrienoyl respectively.
Last Modified1 July 2016
Submittermwilliams
DownloadsMolfile
FormulaC41H76NO7P
Net Charge0
Average Mass726.033
Monoisotopic Mass725.53594
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H](CO/C=C\CCCCCCCCCCCCCC)COP(=O)(O)OCCN
InChIInChI=1S/C41H76NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-41(43)49-40(39-48-50(44,45)47-37-35-42)38-46-36-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,33,36,40H,3-10,12,14-16,18,20,23-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b13-11-,19-17-,22-21-,36-33-/t40-/m1/s1
InChIKeyOFLIDIBZDKQXPD-UKFMZXQISA-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-(1Z-hexadecenyl)-2-(8Z,11Z,14Z-icosatrienoyl)-sn-glycero-3-phosphoethanolamine (CHEBI:90474) has functional parent all-cis-icosa-8,11,14-trienoic acid (CHEBI:53486)
1-(1Z-hexadecenyl)-2-(8Z,11Z,14Z-icosatrienoyl)-sn-glycero-3-phosphoethanolamine (CHEBI:90474) has role mouse metabolite (CHEBI:75771)
1-(1Z-hexadecenyl)-2-(8Z,11Z,14Z-icosatrienoyl)-sn-glycero-3-phosphoethanolamine (CHEBI:90474) is a 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine (CHEBI:17476)
IUPAC Name 
(15Z,19R)-25-amino-22-hydroxy-22-oxo-17,21,23-trioxa-22λ5-phosphapentacos-15-en-19-yl (8Z,11Z,14Z)-icosa-8,11,14-trienoate
Synonyms  Source
PE(P-16:0/20:3(8Z,11Z,14Z))ChEBI
1-(1Z-hexadecenyl)-2-(8Z,11Z,14Z-eicosatrienoyl)-glycero-3-phosphoethanolamineLIPID MAPS
PE(P-16:0/20:3)ChEBI
phosphoethanolamine (P-16:0/20:3)ChEBI
Manual XrefsDatabases
LMGP02030027LIPID MAPS
HMDB0011351HMDB