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CHEBI:84495 - N-tetracosanoylsphinganine-1-phosphocholine

ChEBI IDCHEBI:84495
ChEBI NameN-tetracosanoylsphinganine-1-phosphocholine
Stars
ASCII NameN-tetracosanoylsphinganine-1-phosphocholine
DefinitionA N-acylsphinganine-1-phosphocholine in which the acyl group specified is tetracosanoyl.
Last Modified23 October 2015
Submitternamrata
DownloadsMolfile
FormulaC47H97N2O6P
Net Charge0
Average Mass817.275
Monoisotopic Mass816.70843
SMILESCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@H](O)CCCCCCCCCCCCCCC
InChIInChI=1S/C47H97N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-47(51)48-45(44-55-56(52,53)54-43-42-49(3,4)5)46(50)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2/h45-46,50H,6-44H2,1-5H3,(H-,48,51,52,53)/t45-,46+/m0/s1
InChIKeySMJLGESYPKPRNU-CRCOQUFZSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - MetaboLights (MTBLS143)
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
N-tetracosanoylsphinganine-1-phosphocholine (CHEBI:84495) has functional parent tetracosanoic acid (CHEBI:28866)
N-tetracosanoylsphinganine-1-phosphocholine (CHEBI:84495) has role mouse metabolite (CHEBI:75771)
N-tetracosanoylsphinganine-1-phosphocholine (CHEBI:84495) is a N-acylsphinganine-1-phosphocholine (CHEBI:67090)
N-tetracosanoylsphinganine-1-phosphocholine (CHEBI:84495) is a sphingomyelin 42:0 (CHEBI:72532)
IUPAC Name 
(2S,3R)-3-hydroxy-2-(tetracosanoylamino)octadecyl 2-(trimethylammonio)ethyl phosphate
Synonyms  Source
N-(tetracosanoyl)-sphinganine-1-phosphocholineLIPID MAPS
SM(d18:0/24:0)LIPID MAPS
Sphingomyelin (d18:0/24:0)HMDB
Manual XrefsDatabases
LMSP03010024LIPID MAPS
HMDB0012094HMDB