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CHEBI:78647 - N-hexadecanoylsphinganine-1-phosphocholine

ChEBI IDCHEBI:78647
ChEBI NameN-hexadecanoylsphinganine-1-phosphocholine
Stars
ASCII NameN-hexadecanoylsphinganine-1-phosphocholine
DefinitionA sphingomyelin 34:0 in which the N-acyl group and sphingoid base are specified as hexadecanoyl and sphinganine respectively.
Last Modified4 October 2016
Submitternhn
DownloadsMolfile
FormulaC39H81N2O6P
Net Charge0
Average Mass705.059
Monoisotopic Mass704.58322
SMILESCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@H](O)CCCCCCCCCCCCCCC
InChIInChI=1S/C39H81N2O6P/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/h37-38,42H,6-36H2,1-5H3,(H-,40,43,44,45)/t37-,38+/m0/s1
InChIKeyQHZIGNLCLJPLCU-QPPIDDCLSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (19454763)
Mus musculus (ncbitaxon:10090) - MetaboLights (MTBLS143)
Roles Classification
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
N-hexadecanoylsphinganine-1-phosphocholine (CHEBI:78647) has functional parent hexadecanoic acid (CHEBI:15756)
N-hexadecanoylsphinganine-1-phosphocholine (CHEBI:78647) has role human metabolite (CHEBI:77746)
N-hexadecanoylsphinganine-1-phosphocholine (CHEBI:78647) has role mouse metabolite (CHEBI:75771)
N-hexadecanoylsphinganine-1-phosphocholine (CHEBI:78647) is a N-acylsphinganine-1-phosphocholine (CHEBI:67090)
N-hexadecanoylsphinganine-1-phosphocholine (CHEBI:78647) is a sphingomyelin 34:0 (CHEBI:72513)
IUPAC Name 
(2S,3R)-2-(hexadecanoylamino)-3-hydroxyoctadecyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
N-palmitoylsphinganine-1-phosphocholineSUBMITTER
N-hexadecanoyldihydroceramide-1-phosphocholineSUBMITTER
SM(18:0/16:0)ChEBI
(2S,3R)-3-hydroxy-2-(palmitoylamino)octadecyl 2-(trimethylazaniumyl)ethyl phosphateIUPAC
C16 dihydrosphingomyelinLIPID MAPS
SM(d18:0/16:0)LIPID MAPS
UniProt Name  Source
N-hexadecanoyl-sphinganine-1-phosphocholineUniProt
Manual XrefsDatabases
HMDB0010168HMDB
LMSP03010004LIPID MAPS
Registry NumbersSources
Reaxys:6796346Reaxys
Citations