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CHEBI:84487 - N-oleoylsphingosine-1-phosphocholine

ChEBI IDCHEBI:84487
ChEBI NameN-oleoylsphingosine-1-phosphocholine
Stars
ASCII NameN-oleoylsphingosine-1-phosphocholine
DefinitionA N-octadecenolsphingosine-1-phosphocholine in which the acyl group specified is 9Z-octadecenoyl.
Last Modified23 October 2015
Submitternamrata
DownloadsMolfile
FormulaC41H81N2O6P
Net Charge0
Average Mass729.081
Monoisotopic Mass728.58322
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@H](O)/C=C/CCCCCCCCCCCCC
InChIInChI=1S/C41H81N2O6P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-41(45)42-39(38-49-50(46,47)48-37-36-43(3,4)5)40(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,32,34,39-40,44H,6-19,22-31,33,35-38H2,1-5H3,(H-,42,45,46,47)/b21-20-,34-32+/t39-,40+/m0/s1
InChIKeyNBEADXWAAWCCDG-QDDWGVBQSA-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-oleoylsphingosine-1-phosphocholine (CHEBI:84487) has functional parent oleic acid (CHEBI:16196)
N-oleoylsphingosine-1-phosphocholine (CHEBI:84487) has role mouse metabolite (CHEBI:75771)
N-oleoylsphingosine-1-phosphocholine (CHEBI:84487) is a sphingomyelin d18:1/18:1 (CHEBI:85593)
Synonyms  Source
SM(d18:1/18:1(9Z))LIPID MAPS
N-(9Z-octadecenoyl)-sphing-4-enine-1-phosphocholineLIPID MAPS
N-(9Z-octadecenoyl)-sphingosine-1-phosphocholineChEBI
Manual XrefsDatabases
HMDB0012101HMDB
LMSP03010029LIPID MAPS