CHEBI:70910 - N-docosanoyl-15-methylhexadecasphingosine-1-phosphocholine

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ChEBI Name N-docosanoyl-15-methylhexadecasphingosine-1-phosphocholine
ChEBI ID CHEBI:70910
ChEBI ASCII Name N-docosanoyl-15-methylhexadecasphingosine-1-phosphocholine
Definition A sphingomyelin 39:1 obtained by formal condensation of the carboxy group of docosanoic 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:123116
Supplier Information
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Formula C44H89N2O6P
Net Charge 0
Average Mass 773.178
Monoisotopic Mass 772.64583
InChI InChI=1S/C44H89N2O6P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-28-31-34-37-44(48)45-42(40-52-53(49,50)51-39-38-46(4,5)6)43(47)36-33-30-27-24-22-23-26-29-32-35-41(2)3/h33,36,41-43,47H,7-32,34-35,37-40H2,1-6H3,(H-,45,48,49,50)/b36-33+/t42-,43+/m0/s1
InChIKey RPNHAFAVDGKYBE-IRZMMJPMSA-N
SMILES C(CCCCCCC(C)C)CC\C=C\[C@@H](O)[C@@H](NC(CCCCCCCCCCCCCCCCCCCCC)=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.
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ChEBI Ontology
Outgoing N-docosanoyl-15-methylhexadecasphingosine-1-phosphocholine (CHEBI:70910) has functional parent 15-methylhexadecasphing-4-enine (CHEBI:70798)
N-docosanoyl-15-methylhexadecasphingosine-1-phosphocholine (CHEBI:70910) has functional parent docosanoic acid (CHEBI:28941)
N-docosanoyl-15-methylhexadecasphingosine-1-phosphocholine (CHEBI:70910) has role Caenorhabditis elegans metabolite (CHEBI:78804)
N-docosanoyl-15-methylhexadecasphingosine-1-phosphocholine (CHEBI:70910) is a N-acyl-15-methylhexadecasphing-4-enine-1-phosphocholine (CHEBI:70775)
N-docosanoyl-15-methylhexadecasphingosine-1-phosphocholine (CHEBI:70910) is a sphingomyelin 39:1 (CHEBI:85761)
IUPAC Name
(2S,3R,4E)-2-(docosanoylamino)-3-hydroxy-15-methylhexadec-4-en-1-yl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms Sources
N-docosanoyl-15-methylhexadecasphing-4-enine-1-phosphocholine ChEBI
SM 39:1;2 ChEBI
SM(d17:1;2/22:0) ChEBI
Last Modified
14 January 2020