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CHEBI:116932 - N-tricosanoyl-14-methylhexadecasphingosine-1-phosphocholine

ChEBI IDCHEBI:116932
ChEBI NameN-tricosanoyl-14-methylhexadecasphingosine-1-phosphocholine
Stars
ASCII NameN-tricosanoyl-14-methylhexadecasphingosine-1-phosphocholine
DefinitionA sphingomyelin 40:1 obtained by formal condensation of the carboxy group of tricosanoic acid with the amino group of 14-methylhexadecasphingosine-1-phosphocholine. It is a metabolite of the nematode Caenorhabditis elegans.
Last Modified14 April 2016
DownloadsMolfile
FormulaC45H91N2O6P
Net Charge0
Average Mass787.205
Monoisotopic Mass786.66148
SMILESCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@H](O)/C=C/CCCCCCCCC(C)CC
InChIInChI=1S/C45H91N2O6P/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29-32-35-38-45(49)46-43(41-53-54(50,51)52-40-39-47(4,5)6)44(48)37-34-31-28-26-25-27-30-33-36-42(3)8-2/h34,37,42-44,48H,7-33,35-36,38-41H2,1-6H3,(H-,46,49,50,51)/b37-34+/t42?,43-,44+/m0/s1
InChIKeyAAPDPMOLLIZJKU-PIBJWRKQSA-N
Species of MetaboliteComponentSourceComments
Caenorhabditis elegans (ncbitaxon:6239) - PubMed (23894595)
Roles Classification
Biological Role:
Caenorhabditis elegans metabolite  A nematode metabolite produced by Caenorhabditis elegans.
ChEBI Ontology
Outgoing Relation(s)
N-tricosanoyl-14-methylhexadecasphingosine-1-phosphocholine (CHEBI:116932) has functional parent 14-methylhexadecasphingosine (CHEBI:83988)
N-tricosanoyl-14-methylhexadecasphingosine-1-phosphocholine (CHEBI:116932) has functional parent tricosanoic acid (CHEBI:42394)
N-tricosanoyl-14-methylhexadecasphingosine-1-phosphocholine (CHEBI:116932) has role Caenorhabditis elegans metabolite (CHEBI:78804)
N-tricosanoyl-14-methylhexadecasphingosine-1-phosphocholine (CHEBI:116932) is a sphingomyelin 40:1 (CHEBI:72528)
IUPAC Name 
(2S,3R,4E)-3-hydroxy-14-methyl-2-(tricosanoylamino)hexadec-4-en-1-yl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
SM 40:1;3ChEBI
SM(d17:1;3/23:0)ChEBI
N-tricosanoyl-14-methylhexadecasphing-4-enine-1-phosphocholineChEBI
Citations