CHEBI:117048 - N-hexacosanoyl-14-methylhexadecasphinganine-1-phosphocholine

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ChEBI Name N-hexacosanoyl-14-methylhexadecasphinganine-1-phosphocholine ChEBI ID CHEBI:117048 ChEBI ASCII Name N-hexacosanoyl-14-methylhexadecasphinganine-1-phosphocholine Definition A sphingomyelin obtained by formal condensation of the carboxy group of hexacosanoic acid with the amino group of 14-methylhexadecasphinganine-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 C48H99N2O6P Net Charge 0 Average Mass 831.285 Monoisotopic Mass 830.72408 InChI InChI=1S/C48H99N2O6P/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-32-35-38-41-48(52)49-46(44-56-57(53,54)55-43-42-50(4,5)6)47(51)40-37-34-31-29-28-30-33-36-39-45(3)8-2/h45-47,51H,7-44H2,1-6H3,(H-,49,52,53,54)/t45?,46-,47+/m0/s1 InChIKey URKGNSIZAASXFK-MKISUTETSA-N SMILES C(CCCCCC(CC)C)CCCC[C@@H](O)[C@@H](NC(CCCCCCCCCCCCCCCCCCCCCCCCC)=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-hexacosanoyl-14-methylhexadecasphinganine-1-phosphocholine (CHEBI:117048) has functional parent hexacosanoic acid (CHEBI:31009) N-hexacosanoyl-14-methylhexadecasphinganine-1-phosphocholine (CHEBI:117048) has role Caenorhabditis elegans metabolite (CHEBI:78804) N-hexacosanoyl-14-methylhexadecasphinganine-1-phosphocholine (CHEBI:117048) is a sphingomyelin (CHEBI:64583) IUPAC Name (2S,3R)-2-(hexacosanoylamino)-3-hydroxy-14-methylhexadecyl 2-(trimethylazaniumyl)ethyl phosphate Synonyms Sources N-hexacosanoyl-14-methylhexadecadihydrosphingosine-1-phosphocholine ChEBI SM (d17:0;3/26:0) ChEBI SM 43:0;3 ChEBI Citation Type Source 23894595 PubMed citation Europe PMC Last Modified 14 April 2016