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CHEBI:64487 - N-(9Z-hexadecenoyl)sphingosine-1-phosphocholine

ChEBI IDCHEBI:64487
ChEBI NameN-(9Z-hexadecenoyl)sphingosine-1-phosphocholine
Stars
ASCII NameN-(9Z-hexadecenoyl)sphingosine-1-phosphocholine
DefinitionA N-hexadecenoylsphingosine-1-phosphocholine in which the amino group of sphingosine is in amide linkage with a 9Z-hexadecenoyl fatty acid.
Last Modified27 April 2015
Submittermwilliams
DownloadsMolfile
FormulaC39H77N2O6P
Net Charge0
Average Mass701.027
Monoisotopic Mass700.55192
SMILES[H][C@@](O)(/C=C/CCCCCCCCCCCCC)[C@]([H])(COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCC/C=C\CCCCCC
InChIInChI=1S/C39H77N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-38(42)37(36-47-48(44,45)46-35-34-41(3,4)5)40-39(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h17,19,30,32,37-38,42H,6-16,18,20-29,31,33-36H2,1-5H3,(H-,40,43,44,45)/b19-17-,32-30+/t37-,38+/m0/s1
InChIKeyOAHFTKWSJGVMTG-MBIABJCFSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - MetaboLights (MTBLS143)
Roles Classification
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
N-(9Z-hexadecenoyl)sphingosine-1-phosphocholine (CHEBI:64487) has role mouse metabolite (CHEBI:75771)
N-(9Z-hexadecenoyl)sphingosine-1-phosphocholine (CHEBI:64487) is a N-hexadecenoylsphingosine-1-phosphocholine (CHEBI:85592)
IUPAC Name 
(2S,3R,4E)-2-[(9Z)-hexadec-9-enoylamino]-3-hydroxyoctadec-4-en-1-yl 2-(trimethylammonio)ethyl phosphate
Synonyms  Source
SM(d18:1/16:1)LIPID MAPS
SM(34:2)ChEBI
N-(9Z-hexadecenoyl)-sphing-4-enine-1-phosphocholineLIPID MAPS
Manual XrefsDatabases
LMSP03010041LIPID MAPS
Citations