CHEBI:124992 - N-docosanoyl-14-methylhexadecasphinganine-1-phosphocholine

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ChEBI Name N-docosanoyl-14-methylhexadecasphinganine-1-phosphocholine ChEBI ID CHEBI:124992 ChEBI ASCII Name N-docosanoyl-14-methylhexadecasphinganine-1-phosphocholine Definition A sphingomyelin obtained by formal condensation of the carboxy group of docosanoic 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 C44H91N2O6P Net Charge 0 Average Mass 775.179 Monoisotopic Mass 774.66148 InChI InChI=1S/C44H91N2O6P/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28-31-34-37-44(48)45-42(40-52-53(49,50)51-39-38-46(4,5)6)43(47)36-33-30-27-25-24-26-29-32-35-41(3)8-2/h41-43,47H,7-40H2,1-6H3,(H-,45,48,49,50)/t41?,42-,43+/m0/s1 InChIKey MBRJJFOQKYCVGM-IEZDNMIOSA-N SMILES O(P(OCC[N+](C)(C)C)(=O)[O-])C[C@@H]([C@@H](CCCCCCCCCCC(CC)C)O)NC(CCCCCCCCCCCCCCCCCCCCC)=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-docosanoyl-14-methylhexadecasphinganine-1-phosphocholine (CHEBI:124992) has functional parent docosanoic acid (CHEBI:28941) N-docosanoyl-14-methylhexadecasphinganine-1-phosphocholine (CHEBI:124992) has role Caenorhabditis elegans metabolite (CHEBI:78804) N-docosanoyl-14-methylhexadecasphinganine-1-phosphocholine (CHEBI:124992) is a sphingomyelin (CHEBI:64583) IUPAC Name (2S,3R)-2-(docosanoylamino)-3-hydroxy-14-methylhexadecyl 2-(trimethylazaniumyl)ethyl phosphate Synonyms Sources N-docosanoyl-14-methylhexadecadihydrosphingosine-1-phosphocholine ChEBI SM 39:0;2 ChEBI SM(d17:0;3/22:0) ChEBI Citation Type Source 23894595 PubMed citation Europe PMC Last Modified 14 April 2016