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

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ChEBI Name 1-icosanoyl-2-hexadecanoyl-sn-glycero-3-phosphocholine
ChEBI ID CHEBI:134227
ChEBI ASCII Name 1-icosanoyl-2-hexadecanoyl-sn-glycero-3-phosphocholine
Definition A 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the 1- and 2-acyl groups are specified as icosanoyl (arachidoyl) and hexadecanoyl (palmitoyl) respectively.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C41H82NO8P
Net Charge 0
Average Mass 748.067
Monoisotopic Mass 747.57781
InChI InChI=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
InChIKey UEDZCHGCEKMYMD-LDLOPFEMSA-N
SMILES C(CN)OP(=O)(O)OC[C@H](OC(CCCCCCCCCCCCCCC)=O)COC(=O)CCCCCCCCCCCCCCCCCCC
Metabolite of Species Details
Mus musculus (NCBI:txid10090) See: MetaboLights Study
Rattus norvegicus (NCBI:txid10116) See: MetaboLights Study
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
rat metabolite
Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
1-arachidoyl-2-palmitoyl-sn-glycero-3-phosphocholine ChEBI
PE(20:0/16:0) ChEBI
PE(36:0) ChEBI
phosphoethanolamine (20:0/16:0) ChEBI
phosphoethanolamine (36:0) ChEBI
Manual Xref Database
HMDB0009220 HMDB
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Last Modified
15 June 2017