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CHEBI:67027 - N-eicosanoylsphinganine

ChEBI IDCHEBI:67027
ChEBI NameN-eicosanoylsphinganine
Stars
ASCII NameN-eicosanoylsphinganine
DefinitionA dihydroceramide in which the ceramide N-acyl group is specified as eicosanoyl
Last Modified23 October 2015
SubmitterAlan Bridge
DownloadsMolfile
FormulaC38H77NO3
Net Charge0
Average Mass596.038
Monoisotopic Mass595.59035
SMILESCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC
InChIInChI=1S/C38H77NO3/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-38(42)39-36(35-40)37(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h36-37,40-41H,3-35H2,1-2H3,(H,39,42)/t36-,37+/m0/s1
InChIKeyZWAUSWHRQBSECP-PQQNNWGCSA-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).
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
N-eicosanoylsphinganine (CHEBI:67027) has functional parent icosanoic acid (CHEBI:28822)
N-eicosanoylsphinganine (CHEBI:67027) has role mouse metabolite (CHEBI:75771)
N-eicosanoylsphinganine (CHEBI:67027) is a N-acylsphinganine (CHEBI:31488)
Incoming Relation(s)
Ins-1-P-Cer(d18:0/20:0)(1−) (CHEBI:72549) has functional parent N-eicosanoylsphinganine (CHEBI:67027)
IUPAC Name 
N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]icosanamide
Synonyms  Source
DHC-A 18:0/20:0SUBMITTER
Cer(d18:0/20:0)SUBMITTER
N-icosanoylsphinganineChEBI
N-(eicosanoyl)-sphinganineLIPID MAPS
N-(eicosanoyl)-dihydroceramideLIPID MAPS
N-icosanoyldihydrosphingosineChEBI
UniProt Name  Source
N-eicosanoylsphinganineUniProt
Manual XrefsDatabases
LMSP02020009LIPID MAPS
HMDB0011764HMDB
Registry NumbersSources
Reaxys:21314542Reaxys