CHEBI:119674 - N-pentacosanoyl-14-methylhexadecasphingosine-1-phosphocholine

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ChEBI Name N-pentacosanoyl-14-methylhexadecasphingosine-1-phosphocholine ChEBI ID CHEBI:119674 ChEBI ASCII Name N-pentacosanoyl-14-methylhexadecasphingosine-1-phosphocholine Definition A sphingomyelin 42:1 obtained by formal condensation of the carboxy group of pentacosanoic 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 C47H95N2O6P Net Charge 0 Average Mass 815.243 Monoisotopic Mass 814.69278 InChI InChI=1S/C47H95N2O6P/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-31-34-37-40-47(51)48-45(43-55-56(52,53)54-42-41-49(4,5)6)46(50)39-36-33-30-28-27-29-32-35-38-44(3)8-2/h36,39,44-46,50H,7-35,37-38,40-43H2,1-6H3,(H-,48,51,52,53)/b39-36+/t44?,45-,46+/m0/s1 InChIKey IUXQQZFJFXDYQR-VOGAPEMXSA-N SMILES C(CCCCCC(CC)C)CC\C=C\[C@@H](O)[C@@H](NC(CCCCCCCCCCCCCCCCCCCCCCCC)=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-pentacosanoyl-14-methylhexadecasphingosine-1-phosphocholine (CHEBI:119674) has functional parent 14-methylhexadecasphingosine (CHEBI:83988) N-pentacosanoyl-14-methylhexadecasphingosine-1-phosphocholine (CHEBI:119674) has functional parent pentacosanoic acid (CHEBI:39420) N-pentacosanoyl-14-methylhexadecasphingosine-1-phosphocholine (CHEBI:119674) has role Caenorhabditis elegans metabolite (CHEBI:78804) N-pentacosanoyl-14-methylhexadecasphingosine-1-phosphocholine (CHEBI:119674) is a sphingomyelin 42:1 (CHEBI:72533) IUPAC Name (2S,3R,4E)-3-hydroxy-14-methyl-2-(pentacosanoylamino)hexadec-4-en-1-yl 2-(trimethylazaniumyl)ethyl phosphate Synonyms Sources N-pentacosanoyl-14-methylhexadecasphing-4-enine-1-phosphocholine ChEBI SM (d17:1;3/25:0) ChEBI SM 42:1;3 ChEBI Citation Type Source 23894595 PubMed citation Europe PMC Last Modified 14 April 2016