CHEBI:85023 - N-tridecanoylsphingosine-1-phosphocholine

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ChEBI Name N-tridecanoylsphingosine-1-phosphocholine
ChEBI ID CHEBI:85023
ChEBI ASCII Name N-tridecanoylsphingosine-1-phosphocholine
Definition A sphingomyelin d18:1 in which the acyl group specified is tridecanoyl.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C36H73N2O6P
Net Charge 0
Average Mass 660.94840
Monoisotopic Mass 660.52063
InChI InChI=1S/C36H73N2O6P/c1-6-8-10-12-14-16-18-19-20-21-23-25-27-29-35(39)34(33-44-45(41,42)43-32-31-38(3,4)5)37-36(40)30-28-26-24-22-17-15-13-11-9-7-2/h27,29,34-35,39H,6-26,28,30-33H2,1-5H3,(H-,37,40,41,42)/b29-27+/t34-,35+/m0/s1
InChIKey CANBGAIKNASUDF-WSYRTZMQSA-N
SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCC
Metabolite of Species Details
Mus musculus (NCBI:txid10090) See: MetaboLights Study
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing N-tridecanoylsphingosine-1-phosphocholine (CHEBI:85023) has functional parent tridecanoic acid (CHEBI:45919)
N-tridecanoylsphingosine-1-phosphocholine (CHEBI:85023) has role mouse metabolite (CHEBI:75771)
N-tridecanoylsphingosine-1-phosphocholine (CHEBI:85023) is a sphingomyelin d18:1 (CHEBI:17636)
IUPAC Name
(2S,3R,4E)-3-hydroxy-2-(tridecanoylamino)octadec-4-en-1-yl 2-(trimethylammonio)ethyl phosphate
Synonym Source
SM (d18:1/13:0) ChEBI
Last Modified
25 February 2015