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CHEBI:120617 - N-heptadecanoyl-15-methylhexadecasphingosine-1-phosphocholine

ChEBI IDCHEBI:120617
ChEBI NameN-heptadecanoyl-15-methylhexadecasphingosine-1-phosphocholine
Stars
ASCII NameN-heptadecanoyl-15-methylhexadecasphingosine-1-phosphocholine
DefinitionA sphingomyelin 34:1 obtained by formal condensation of the carboxy group of heptadecanoic acid with the amino group of 15-methylhexadecasphingosine-1-phosphocholine. It is a metabolite of the nematode Caenorhabditis elegans.
Last Modified14 April 2016
DownloadsMolfile
FormulaC39H79N2O6P
Net Charge0
Average Mass703.043
Monoisotopic Mass702.56757
SMILESCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@H](O)/C=C/CCCCCCCCCC(C)C
InChIInChI=1S/C39H79N2O6P/c1-7-8-9-10-11-12-13-14-15-16-20-23-26-29-32-39(43)40-37(35-47-48(44,45)46-34-33-41(4,5)6)38(42)31-28-25-22-19-17-18-21-24-27-30-36(2)3/h28,31,36-38,42H,7-27,29-30,32-35H2,1-6H3,(H-,40,43,44,45)/b31-28+/t37-,38+/m0/s1
InChIKeyLFOVKKHRPZRMKL-BZWWISLQSA-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-heptadecanoyl-15-methylhexadecasphingosine-1-phosphocholine (CHEBI:120617) has functional parent 15-methylhexadecasphing-4-enine (CHEBI:70798)
N-heptadecanoyl-15-methylhexadecasphingosine-1-phosphocholine (CHEBI:120617) has functional parent heptadecanoic acid (CHEBI:32365)
N-heptadecanoyl-15-methylhexadecasphingosine-1-phosphocholine (CHEBI:120617) has role Caenorhabditis elegans metabolite (CHEBI:78804)
N-heptadecanoyl-15-methylhexadecasphingosine-1-phosphocholine (CHEBI:120617) is a sphingomyelin 34:1 (CHEBI:72514)
IUPAC Name 
(2S,3R,4E)-2-(heptadecanoylamino)-3-hydroxy-15-methylhexadec-4-en-1-yl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
N-heptadecanoyl-15-methylhexadecasphing-4-enine-1-phosphocholineChEBI
SM(d17:1;2/17:0)ChEBI
SM 34:1;2ChEBI
Citations