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CHEBI:133145 - 2-octadecanoyl-sn-glycero-3-phosphoethanolamine

ChEBI IDCHEBI:133145
ChEBI Name2-octadecanoyl-sn-glycero-3-phosphoethanolamine
Stars
ASCII Name2-octadecanoyl-sn-glycero-3-phosphoethanolamine
DefinitionA 2-acyl-sn-glycero-3-phosphoethanolamine in which the acyl group is specified as octadecanoyl (stearoyl).
Last Modified25 August 2016
SubmitterSteve
DownloadsMolfile
FormulaC23H48NO7P
Net Charge0
Average Mass481.611
Monoisotopic Mass481.31684
SMILESCCCCCCCCCCCCCCCCCC(=O)O[C@H](CO)COP(=O)(O)OCCN
InChIInChI=1S/C23H48NO7P/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/h22,25H,2-21,24H2,1H3,(H,27,28)/t22-/m1/s1
InChIKeyKIHAGWUUUHJRMS-JOCHJYFZSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (26927094)
Roles Classification
Biological Roles:
human blood serum metabolite  Any metabolite (endogenous or exogenous) found in human blood serum samples.
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).
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
2-octadecanoyl-sn-glycero-3-phosphoethanolamine (CHEBI:133145) has functional parent octadecanoic acid (CHEBI:28842)
2-octadecanoyl-sn-glycero-3-phosphoethanolamine (CHEBI:133145) has role human blood serum metabolite (CHEBI:85234)
2-octadecanoyl-sn-glycero-3-phosphoethanolamine (CHEBI:133145) is a 2-acyl-sn-glycero-3-phosphoethanolamine (CHEBI:28936)
2-octadecanoyl-sn-glycero-3-phosphoethanolamine (CHEBI:133145) is a lysophosphatidylethanolamine 18:0 (CHEBI:64576)
2-octadecanoyl-sn-glycero-3-phosphoethanolamine (CHEBI:133145) is tautomer of 2-octadecanoyl-sn-glycero-3-phosphoethanolamine zwitterion (CHEBI:133144)
Incoming Relation(s)
2-octadecanoyl-sn-glycero-3-phosphoethanolamine zwitterion (CHEBI:133144) is tautomer of 2-octadecanoyl-sn-glycero-3-phosphoethanolamine (CHEBI:133145)
IUPAC Name 
(2R)-1-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-3-hydroxypropan-2-yl octadecanoate
Synonyms  Source
2-stearoyl-sn-glycero-3-phosphoethanolamineChEBI
phosphatidylethanolamine(18:0)ChEBI
LysoPE(0:0/18:0)HMDB
LPE(18:0)HMDB
LysoPE(18:0)HMDB
GPE(0:0/18:0)ChEBI
Manual XrefsDatabases
HMDB0011129HMDB
Registry NumbersSources
Reaxys:9675505Reaxys
Citations