CHEBI:85019 - 1-[(1Z,11Z)-octadecadienyl]-2-palmitoyl-sn-glycero-3-phosphoethanolamine

ChEBI IDCHEBI:85019
ChEBI Name1-[(1Z,11Z)-octadecadienyl]-2-palmitoyl-sn-glycero-3-phosphoethanolamine
Stars
ASCII Name1-[(1Z,11Z)-octadecadienyl]-2-palmitoyl-sn-glycero-3-phosphoethanolamine
DefinitionA 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine in which the alk-1-enyl and acyl groups are specified as (1Z,11Z)-octadecadienyl and palmitoyl respectively.
Last Modified25 February 2015
Submitternamrata
DownloadsMolfile
FormulaC39H76NO7P
Net Charge0
Average Mass702.011
Monoisotopic Mass701.53594
SMILES[H][C@@](CO/C=C\CCCCCCCC/C=C\CCCCCC)(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C39H76NO7P/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/h13,15,31,34,38H,3-12,14,16-30,32-33,35-37,40H2,1-2H3,(H,42,43)/b15-13-,34-31-/t38-/m1/s1
InChIKeyMYXWLPFBAVVSPF-NHGOJEJISA-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,11Z)-octadecadienyl]-2-palmitoyl-sn-glycero-3-phosphoethanolamine (CHEBI:85019) has functional parent hexadecanoic acid (CHEBI:15756)
1-[(1Z,11Z)-octadecadienyl]-2-palmitoyl-sn-glycero-3-phosphoethanolamine (CHEBI:85019) has role mouse metabolite (CHEBI:75771)
1-[(1Z,11Z)-octadecadienyl]-2-palmitoyl-sn-glycero-3-phosphoethanolamine (CHEBI:85019) is a 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine (CHEBI:17476)
IUPAC Name 
(7Z,17Z,21R)-27-amino-24-hydroxy-24-oxido-19,23,25-trioxa-24λ5-phosphaheptacosa-7,17-dien-21-yl hexadecanoate
Synonyms  Source
PE(P-18:1(11Z)/16:0)HMDB
1-(1-Enyl-vaccenoyl)-2-palmitoyl-sn-glycero-3-phosphoethanolamineHMDB
Manual XrefsDatabases
HMDB0011404HMDB