CHEBI:90482 - 1-(1Z-octadecenyl)-2-hexadecanoyl-sn-glycero-3-phosphoethanolamine

ChEBI IDCHEBI:90482
ChEBI Name1-(1Z-octadecenyl)-2-hexadecanoyl-sn-glycero-3-phosphoethanolamine
Stars
ASCII Name1-(1Z-octadecenyl)-2-hexadecanoyl-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)-octadecenyl and hexadecanoyl respectively.
Last Modified1 July 2016
Submittermwilliams
DownloadsMolfile
FormulaC39H78NO7P
Net Charge0
Average Mass704.027
Monoisotopic Mass703.55159
SMILESCCCCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C39H78NO7P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-34-44-36-38(37-46-48(42,43)45-35-33-40)47-39(41)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h31,34,38H,3-30,32-33,35-37,40H2,1-2H3,(H,42,43)/b34-31-/t38-/m1/s1
InChIKeyHEASGCOZOMIKFU-WBXWDXDJSA-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-octadecenyl)-2-hexadecanoyl-sn-glycero-3-phosphoethanolamine (CHEBI:90482) has functional parent hexadecanoic acid (CHEBI:15756)
1-(1Z-octadecenyl)-2-hexadecanoyl-sn-glycero-3-phosphoethanolamine (CHEBI:90482) has role mouse metabolite (CHEBI:75771)
1-(1Z-octadecenyl)-2-hexadecanoyl-sn-glycero-3-phosphoethanolamine (CHEBI:90482) is a 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine (CHEBI:17476)
IUPAC Name 
(17Z,21R)-27-amino-24-hydroxy-24-oxo-19,23,25-trioxa-24λ5-phosphaheptacos-17-en-21-yl hexadecanoate
Synonyms  Source
PE P-18:0/16:0ChEBI
PE(P-18:0/16:0)LIPID MAPS
1-(1Z-octadecenyl)-2-hexadecanoyl-glycero-3-phosphoethanolamineLIPID MAPS
1-(1Z-octadecenyl)-2-palmitoyl-sn-glycero-3-phosphoethanolamineChEBI
Manual XrefsDatabases
LMGP02030040LIPID MAPS
HMDB0011371HMDB