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CHEBI:84476 - N-(17Z-hexacosenoyl)-sphingosine-1-phosphocholine

ChEBI IDCHEBI:84476
ChEBI NameN-(17Z-hexacosenoyl)-sphingosine-1-phosphocholine
Stars
ASCII NameN-(17Z-hexacosenoyl)-sphingosine-1-phosphocholine
DefinitionA N-hexacosenoylsphingosine-1-phosphocholine consisting of sphingosine as the sphingoid base acylated at the N atom by a (17Z)-hexacosenoyl group.
Last Modified23 October 2015
Submitternamrata
DownloadsMolfile
FormulaC49H97N2O6P
Net Charge0
Average Mass841.297
Monoisotopic Mass840.70843
SMILESCCCCCCCC/C=C\CCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@H](O)/C=C/CCCCCCCCCCCCC
InChIInChI=1S/C49H97N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-49(53)50-47(46-57-58(54,55)56-45-44-51(3,4)5)48(52)42-40-38-36-34-32-30-19-17-15-13-11-9-7-2/h20-21,40,42,47-48,52H,6-19,22-39,41,43-46H2,1-5H3,(H-,50,53,54,55)/b21-20-,42-40+/t47-,48+/m0/s1
InChIKeyYXEXWUZHFGYOHJ-UOJCCMJYSA-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-(17Z-hexacosenoyl)-sphingosine-1-phosphocholine (CHEBI:84476) has functional parent (17Z)-hexacosenoic acid (CHEBI:77525)
N-(17Z-hexacosenoyl)-sphingosine-1-phosphocholine (CHEBI:84476) has role mouse metabolite (CHEBI:75771)
N-(17Z-hexacosenoyl)-sphingosine-1-phosphocholine (CHEBI:84476) is a N-hexacosenoylsphingosine-1-phosphocholine (CHEBI:83362)
IUPAC Name 
(2S,3R,4E)-2-[(17Z)-hexacos-17-enoylamino]-3-hydroxyoctadec-4-en-1-yl 2-(trimethylammonio)ethyl phosphate
Synonyms  Source
C26:1 SphingomyelinLIPID MAPS
SM(d18:1/26:1(17Z))LIPID MAPS
N-(17Z-hexacosenoyl)-sphing-4-enine-1-phosphocholineLIPID MAPS
Manual XrefsDatabases
LMSP03010009LIPID MAPS
HMDB0013461HMDB