CHEBI:120617 - N-heptadecanoyl-15-methylhexadecasphingosine-1-phosphocholine

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ChEBI Name N-heptadecanoyl-15-methylhexadecasphingosine-1-phosphocholine ChEBI ID CHEBI:120617 ChEBI ASCII Name N-heptadecanoyl-15-methylhexadecasphingosine-1-phosphocholine Definition A sphingomyelin 34:1 obtained by formal condensation of the carboxy group of heptadecanoic acid with the amino group of 15-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 C39H79N2O6P Net Charge 0 Average Mass 703.030 Monoisotopic Mass 702.56758 InChI InChI=1S/C39H79N2O6P/c1-7-8-9-10-11-12-13-14-15-16-20-23-26-29-32-39(43)40-37(35-47-48(44,45)46-34-33-41(4,5)6)38(42)31-28-25-22-19-17-18-21-24-27-30-36(2)3/h28,31,36-38,42H,7-27,29-30,32-35H2,1-6H3,(H-,40,43,44,45)/b31-28+/t37-,38+/m0/s1 InChIKey LFOVKKHRPZRMKL-BZWWISLQSA-N SMILES C(CCCCCCC(C)C)CC\C=C\[C@@H](O)[C@@H](NC(CCCCCCCCCCCCCCCC)=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-heptadecanoyl-15-methylhexadecasphingosine-1-phosphocholine (CHEBI:120617) has functional parent 15-methylhexadecasphing-4-enine (CHEBI:70798) N-heptadecanoyl-15-methylhexadecasphingosine-1-phosphocholine (CHEBI:120617) has functional parent heptadecanoic acid (CHEBI:32365) N-heptadecanoyl-15-methylhexadecasphingosine-1-phosphocholine (CHEBI:120617) has role Caenorhabditis elegans metabolite (CHEBI:78804) N-heptadecanoyl-15-methylhexadecasphingosine-1-phosphocholine (CHEBI:120617) is a sphingomyelin 34:1 (CHEBI:72514) IUPAC Name (2S,3R,4E)-2-(heptadecanoylamino)-3-hydroxy-15-methylhexadec-4-en-1-yl 2-(trimethylazaniumyl)ethyl phosphate Synonyms Sources N-heptadecanoyl-15-methylhexadecasphing-4-enine-1-phosphocholine ChEBI SM 34:1;2 ChEBI SM(d17:1;2/17:0) ChEBI Citation Type Source 23894595 PubMed citation Europe PMC Last Modified 14 April 2016