CHEBI:116963 - N-hexadecanoyl-15-methylhexadecasphingosine-1-phosphocholine

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ChEBI Name N-hexadecanoyl-15-methylhexadecasphingosine-1-phosphocholine
ChEBI ID CHEBI:116963
ChEBI ASCII Name N-hexadecanoyl-15-methylhexadecasphingosine-1-phosphocholine
Definition A sphingomyelin 33:1 obtained by formal condensation of the carboxy group of hexadecanoic 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
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Formula C38H77N2O6P
Net Charge 0
Average Mass 689.003
Monoisotopic Mass 688.55193
InChI InChI=1S/C38H77N2O6P/c1-7-8-9-10-11-12-13-14-15-19-22-25-28-31-38(42)39-36(34-46-47(43,44)45-33-32-40(4,5)6)37(41)30-27-24-21-18-16-17-20-23-26-29-35(2)3/h27,30,35-37,41H,7-26,28-29,31-34H2,1-6H3,(H-,39,42,43,44)/b30-27+/t36-,37+/m0/s1
InChIKey RPGLLSNDDVGBOW-YTIXFSKQSA-N
SMILES C(CCCCCCC(C)C)CC\C=C\[C@@H](O)[C@@H](NC(CCCCCCCCCCCCCCC)=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.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via sphingomyelin 33:1 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing N-hexadecanoyl-15-methylhexadecasphingosine-1-phosphocholine (CHEBI:116963) has functional parent 15-methylhexadecasphing-4-enine (CHEBI:70798)
N-hexadecanoyl-15-methylhexadecasphingosine-1-phosphocholine (CHEBI:116963) has functional parent hexadecanoic acid (CHEBI:15756)
N-hexadecanoyl-15-methylhexadecasphingosine-1-phosphocholine (CHEBI:116963) has role Caenorhabditis elegans metabolite (CHEBI:78804)
N-hexadecanoyl-15-methylhexadecasphingosine-1-phosphocholine (CHEBI:116963) is a sphingomyelin 33:1 (CHEBI:64585)
IUPAC Name
(2S,3R,4E)-2-(hexadecanoylamino)-3-hydroxy-15-methylhexadec-4-en-1-yl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms Sources
N-hexadecanoyl-15-methylhexadecasphing-4-enine-1-phosphocholine ChEBI
SM 33:1;2 ChEBI
SM(d17:1;2/16:0) ChEBI
Citation Waiting for Citations Type Source
23894595 PubMed citation Europe PMC
Last Modified
14 April 2016