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CHEBI:119713 - N-octadecanoyl-15-methylhexadecasphingosine-1-phosphocholine

ChEBI IDCHEBI:119713
ChEBI NameN-octadecanoyl-15-methylhexadecasphingosine-1-phosphocholine
Stars
ASCII NameN-octadecanoyl-15-methylhexadecasphingosine-1-phosphocholine
DefinitionA sphingomyelin obtained by formal condensation of the carboxy group of octadecanoic acid with the amino group of 15-methylhexadecasphingosine-1-phosphocholine. It is a metabolite of the nematode Caenorhabditis elegans.
Secondary ChEBI IDCHEBI:70882
Last Modified30 January 2023
SubmitterAlan Bridge
DownloadsMolfile
FormulaC40H81N2O6P
Net Charge0
Average Mass717.070
Monoisotopic Mass716.58322
SMILESCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@H](O)/C=C/CCCCCCCCCC(C)C
InChIInChI=1S/C40H81N2O6P/c1-7-8-9-10-11-12-13-14-15-16-17-21-24-27-30-33-40(44)41-38(36-48-49(45,46)47-35-34-42(4,5)6)39(43)32-29-26-23-20-18-19-22-25-28-31-37(2)3/h29,32,37-39,43H,7-28,30-31,33-36H2,1-6H3,(H-,41,44,45,46)/b32-29+/t38-,39+/m0/s1
InChIKeyUTOTXKYACKIVLG-SSNNFMOJSA-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-octadecanoyl-15-methylhexadecasphingosine-1-phosphocholine (CHEBI:119713) has functional parent octadecanoic acid (CHEBI:28842)
N-octadecanoyl-15-methylhexadecasphingosine-1-phosphocholine (CHEBI:119713) has role Caenorhabditis elegans metabolite (CHEBI:78804)
N-octadecanoyl-15-methylhexadecasphingosine-1-phosphocholine (CHEBI:119713) is a N-acyl-15-methylhexadecasphing-4-enine-1-phosphocholine (CHEBI:70775)
IUPAC Name 
(2S,3R,4E)-3-hydroxy-15-methyl-2-(octadecanoylamino)hexadec-4-en-1-yl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
15-methyl-N-octadecanoylhexadecasphing-4-enine-1-phosphocholineChEBI
N-octadecanoyl-15-methylhexadecasphing-4-enine-1-phosphocholineChEBI
SM(d17:1;2/18:0)ChEBI
SM 35:1;2ChEBI
N-(octadecanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholineChEBI
Citations