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

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ChEBI Name N-tricosanoyl-14-methylhexadecasphingosine-1-phosphocholine ChEBI ID CHEBI:116932 ChEBI ASCII Name N-tricosanoyl-14-methylhexadecasphingosine-1-phosphocholine Definition A 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. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C45H91N2O6P Net Charge 0 Average Mass 787.189 Monoisotopic Mass 786.66148 InChI InChI=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 InChIKey AAPDPMOLLIZJKU-PIBJWRKQSA-N SMILES C(CCCCCC(CC)C)CC\C=C\[C@@H](O)[C@@H](NC(CCCCCCCCCCCCCCCCCCCCCC)=O)COP(OCC[N+](C)(C)C)(=O)[O-] Metabolite of Species Details Caenorhabditis elegans (NCBI:txid6239) See: PubMed Roles Classification Biological Role(s): Caenorhabditis elegans metabolite A nematode metabolite produced by Caenorhabditis elegans. View more via ChEBI Ontology ChEBI Ontology Outgoing 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 Sources N-tricosanoyl-14-methylhexadecasphing-4-enine-1-phosphocholine ChEBI SM 40:1;3 ChEBI SM(d17:1;3/23:0) ChEBI Citation Type Source 23894595 PubMed citation Europe PMC Last Modified 14 April 2016