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CHEBI:116963 - N-hexadecanoyl-15-methylhexadecasphingosine-1-phosphocholine

ChEBI IDCHEBI:116963
ChEBI NameN-hexadecanoyl-15-methylhexadecasphingosine-1-phosphocholine
Stars
ASCII NameN-hexadecanoyl-15-methylhexadecasphingosine-1-phosphocholine
DefinitionA sphingomyelin 33:1 obtained by formal condensation of the carboxy group of hexadecanoic acid with the amino group of 15-methylhexadecasphingosine-1-phosphocholine. It is a metabolite of the nematode Caenorhabditis elegans.
Last Modified14 April 2016
DownloadsMolfile
FormulaC38H77N2O6P
Net Charge0
Average Mass689.016
Monoisotopic Mass688.55192
SMILESCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@H](O)/C=C/CCCCCCCCCC(C)C
InChIInChI=1S/C38H77N2O6P/c1-7-8-9-10-11-12-13-14-15-19-22-25-28-31-38(42)39-36(34-46-47(43,44)45-33-32-40(4,5)6)37(41)30-27-24-21-18-16-17-20-23-26-29-35(2)3/h27,30,35-37,41H,7-26,28-29,31-34H2,1-6H3,(H-,39,42,43,44)/b30-27+/t36-,37+/m0/s1
InChIKeyRPGLLSNDDVGBOW-YTIXFSKQSA-N
Species of MetaboliteComponentSourceComments
Caenorhabditis elegans (ncbitaxon:6239) - PubMed (23894595)
Roles Classification
Biological Roles:
Caenorhabditis elegans metabolite  A nematode metabolite produced by Caenorhabditis elegans.
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)
N-hexadecanoyl-15-methylhexadecasphingosine-1-phosphocholine (CHEBI:116963) has functional parent 15-methylhexadecasphing-4-enine (CHEBI:70798)
N-hexadecanoyl-15-methylhexadecasphingosine-1-phosphocholine (CHEBI:116963) has functional parent hexadecanoic acid (CHEBI:15756)
N-hexadecanoyl-15-methylhexadecasphingosine-1-phosphocholine (CHEBI:116963) has role Caenorhabditis elegans metabolite (CHEBI:78804)
N-hexadecanoyl-15-methylhexadecasphingosine-1-phosphocholine (CHEBI:116963) is a sphingomyelin 33:1 (CHEBI:64585)
IUPAC Name 
(2S,3R,4E)-2-(hexadecanoylamino)-3-hydroxy-15-methylhexadec-4-en-1-yl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
N-hexadecanoyl-15-methylhexadecasphing-4-enine-1-phosphocholineChEBI
SM 33:1;2ChEBI
SM(d17:1;2/16:0)ChEBI
Citations