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CHEBI:181112 - [1-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-3-hydroxypropan-2-yl] octadeca-6,9,12-trienoate

ChEBI IDCHEBI:181112
ChEBI Name[1-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-3-hydroxypropan-2-yl] octadeca-6,9,12-trienoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H42NO7P
Net Charge0
Average Mass475.563
Monoisotopic Mass475.26989
SMILESCCCCCC=CCC=CCC=CCCCCC(=O)OC(CO)COP(=O)(O)OCCN
InChIInChI=1S/C23H42NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)31-22(20-25)21-30-32(27,28)29-19-18-24/h6-7,9-10,12-13,22,25H,2-5,8,11,14-21,24H2,1H3,(H,27,28)
InChIKeyQYXNIRQICOBIAE-UHFFFAOYSA-N
Roles Classification
Biological Roles:
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).
ChEBI Ontology
Outgoing Relation(s)
[1-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-3-hydroxypropan-2-yl] octadeca-6,9,12-trienoate (CHEBI:181112) is a 2-acyl-sn-glycero-3-phosphoethanolamine (CHEBI:28936)
IUPAC Name 
[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hydroxypropan-2-yl] octadeca-6,9,12-trienoate