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CHEBI:134227 - 1-icosanoyl-2-hexadecanoyl-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:134227
ChEBI Name1-icosanoyl-2-hexadecanoyl-sn-glycero-3-phosphocholine
Stars
ASCII Name1-icosanoyl-2-hexadecanoyl-sn-glycero-3-phosphocholine
DefinitionA 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the 1- and 2-acyl groups are specified as icosanoyl (arachidoyl) and hexadecanoyl (palmitoyl) respectively.
Last Modified15 June 2017
SubmitterKeeva
DownloadsMolfile
FormulaC41H82NO8P
Net Charge0
Average Mass748.080
Monoisotopic Mass747.57781
SMILESCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C41H82NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h39H,3-38,42H2,1-2H3,(H,45,46)/t39-/m1/s1
InChIKeyUEDZCHGCEKMYMD-LDLOPFEMSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) - MetaboLights (MTBLS313)
Mus musculus (ncbitaxon:10090) - MetaboLights (MTBLS313)
Roles Classification
Biological Roles:
rat metabolite  Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus).
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
1-icosanoyl-2-hexadecanoyl-sn-glycero-3-phosphocholine (CHEBI:134227) has functional parent hexadecanoic acid (CHEBI:15756)
1-icosanoyl-2-hexadecanoyl-sn-glycero-3-phosphocholine (CHEBI:134227) has functional parent icosanoic acid (CHEBI:28822)
1-icosanoyl-2-hexadecanoyl-sn-glycero-3-phosphocholine (CHEBI:134227) has role mouse metabolite (CHEBI:75771)
1-icosanoyl-2-hexadecanoyl-sn-glycero-3-phosphocholine (CHEBI:134227) has role rat metabolite (CHEBI:86264)
1-icosanoyl-2-hexadecanoyl-sn-glycero-3-phosphocholine (CHEBI:134227) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
1-icosanoyl-2-hexadecanoyl-sn-glycero-3-phosphocholine (CHEBI:134227) is a phosphatidylethanolamine 36:0 (CHEBI:134435)
IUPAC Name 
(2R)-3-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(hexadecanoyloxy)propyl icosanoate
Synonyms  Source
phosphoethanolamine (20:0/16:0)ChEBI
phosphoethanolamine (36:0)ChEBI
PE(20:0/16:0)ChEBI
PE(36:0)ChEBI
1-arachidoyl-2-palmitoyl-sn-glycero-3-phosphocholineChEBI
Manual XrefsDatabases
HMDB0009220HMDB