CHEBI:74484 - 1-octadecanoyl-2-(7Z,10Z,13Z,16Z)-docosatetraenoyl-sn-glycero-3-phosphoethanolamine

ChEBI IDCHEBI:74484
ChEBI Name1-octadecanoyl-2-(7Z,10Z,13Z,16Z)-docosatetraenoyl-sn-glycero-3-phosphoethanolamine
Stars
ASCII Name1-octadecanoyl-2-(7Z,10Z,13Z,16Z)-docosatetraenoyl-sn-glycero-3-phosphoethanolamine
DefinitionA 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the 1- and 2-acyl groups are specified as octadecanoyl and (7Z,10Z,13Z,16Z)-docosatetraenoyl respectively.
Secondary ChEBI IDCHEBI:84545
Last Modified19 June 2015
Submittermwilliams, namrata
DownloadsMolfile
FormulaC45H82NO8P
Net Charge0
Average Mass796.124
Monoisotopic Mass795.57781
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN
InChIInChI=1S/C45H82NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,26,28,43H,3-10,12,14-16,18,20,23-25,27,29-42,46H2,1-2H3,(H,49,50)/b13-11-,19-17-,22-21-,28-26-/t43-/m1/s1
InChIKeyHNFSZKRUPTYBOQ-ZDYOIFAYSA-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-octadecanoyl-2-(7Z,10Z,13Z,16Z)-docosatetraenoyl-sn-glycero-3-phosphoethanolamine (CHEBI:74484) has role mouse metabolite (CHEBI:75771)
1-octadecanoyl-2-(7Z,10Z,13Z,16Z)-docosatetraenoyl-sn-glycero-3-phosphoethanolamine (CHEBI:74484) 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 (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
Synonyms  Source
PE(18:0/22:4(7Z,10Z,13Z,16Z))LIPID MAPS
PE(18:0/22:4)HMDB
GPEtn(18:0/22:4(7Z,10Z,13Z,16Z))ChEBI
phosphatidylethanolamine(18:0/22:4(7Z,10Z,13Z,16Z))ChEBI
GPEtn(18:0/22:4)HMDB
1-octadecanoyl-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-glycero-3-phosphoethanolamineLIPID MAPS
Manual XrefsDatabases
LMGP02011200LIPID MAPS
HMDB0009009HMDB