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CHEBI:119574 - N-henicosanoyl-15-methylhexadecasphingosine-1-phosphocholine

ChEBI IDCHEBI:119574
ChEBI NameN-henicosanoyl-15-methylhexadecasphingosine-1-phosphocholine
Stars
ASCII NameN-henicosanoyl-15-methylhexadecasphingosine-1-phosphocholine
DefinitionA sphingomyelin 38:1 obtained by formal condensation of the carboxy group of henicosanoic acid with the amino group of 15-methylhexadecasphingosine-1-phosphocholine. It is a metabolite of the nematode Caenorhabditis elegans.
Last Modified14 April 2016
DownloadsMolfile
FormulaC43H87N2O6P
Net Charge0
Average Mass759.151
Monoisotopic Mass758.63018
SMILESCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@H](O)/C=C/CCCCCCCCCC(C)C
InChIInChI=1S/C43H87N2O6P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-27-30-33-36-43(47)44-41(39-51-52(48,49)50-38-37-45(4,5)6)42(46)35-32-29-26-23-21-22-25-28-31-34-40(2)3/h32,35,40-42,46H,7-31,33-34,36-39H2,1-6H3,(H-,44,47,48,49)/b35-32+/t41-,42+/m0/s1
InChIKeyHMQRZNBWVNRNRL-UXROQNIDSA-N
Species of MetaboliteComponentSourceComments
Caenorhabditis elegans (ncbitaxon:6239) - PubMed (23894595)
ChEBI Ontology
Outgoing Relation(s)
N-henicosanoyl-15-methylhexadecasphingosine-1-phosphocholine (CHEBI:119574) has functional parent 15-methylhexadecasphing-4-enine (CHEBI:70798)
N-henicosanoyl-15-methylhexadecasphingosine-1-phosphocholine (CHEBI:119574) has functional parent henicosanoic acid (CHEBI:39248)
N-henicosanoyl-15-methylhexadecasphingosine-1-phosphocholine (CHEBI:119574) has role Caenorhabditis elegans metabolite (CHEBI:78804)
N-henicosanoyl-15-methylhexadecasphingosine-1-phosphocholine (CHEBI:119574) is a sphingomyelin 38:1 (CHEBI:72523)
IUPAC Name 
(2S,3R,4E)-2-(henicosanoylamino)-3-hydroxy-15-methylhexadec-4-en-1-yl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
SM (d17:1;2/21:0)ChEBI
SM 38:1;2ChEBI
N-henicosanoyl-15-methylhexadecasphing-4-enine-1-phosphocholineChEBI
Citations