CHEBI:119713 - N-octadecanoyl-15-methylhexadecasphingosine-1-phosphocholine

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ChEBI Name N-octadecanoyl-15-methylhexadecasphingosine-1-phosphocholine
ChEBI ID CHEBI:119713
ChEBI ASCII Name N-octadecanoyl-15-methylhexadecasphingosine-1-phosphocholine
Definition A sphingomyelin obtained by formal condensation of the carboxy group of octadecanoic 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.
Submitter Alan Bridge
Secondary ChEBI IDs CHEBI:70882
Supplier Information
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Formula C40H81N2O6P
Net Charge 0
Average Mass 717.056
Monoisotopic Mass 716.58323
InChI InChI=1S/C40H81N2O6P/c1-7-8-9-10-11-12-13-14-15-16-17-21-24-27-30-33-40(44)41-38(36-48-49(45,46)47-35-34-42(4,5)6)39(43)32-29-26-23-20-18-19-22-25-28-31-37(2)3/h29,32,37-39,43H,7-28,30-31,33-36H2,1-6H3,(H-,41,44,45,46)/b32-29+/t38-,39+/m0/s1
InChIKey UTOTXKYACKIVLG-SSNNFMOJSA-N
SMILES C(CCCCCCC(C)C)CC\C=C\[C@@H](O)[C@@H](NC(CCCCCCCCCCCCCCCCC)=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-octadecanoyl-15-methylhexadecasphingosine-1-phosphocholine (CHEBI:119713) has functional parent octadecanoic acid (CHEBI:28842)
N-octadecanoyl-15-methylhexadecasphingosine-1-phosphocholine (CHEBI:119713) has role Caenorhabditis elegans metabolite (CHEBI:78804)
N-octadecanoyl-15-methylhexadecasphingosine-1-phosphocholine (CHEBI:119713) is a N-acyl-15-methylhexadecasphing-4-enine-1-phosphocholine (CHEBI:70775)
IUPAC Name
(2S,3R,4E)-3-hydroxy-15-methyl-2-(octadecanoylamino)hexadec-4-en-1-yl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms Sources
15-methyl-N-octadecanoylhexadecasphing-4-enine-1-phosphocholine ChEBI
N-(octadecanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine ChEBI
N-octadecanoyl-15-methylhexadecasphing-4-enine-1-phosphocholine ChEBI
SM 35:1;2 ChEBI
SM(d17:1;2/18:0) ChEBI
Citation Waiting for Citations Type Source
23894595 PubMed citation Europe PMC
Last Modified
30 January 2023