EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:65107 - N-hexadecanoylphytosphingosine

ChEBI IDCHEBI:65107
ChEBI NameN-hexadecanoylphytosphingosine
Stars
ASCII NameN-hexadecanoylphytosphingosine
DefinitionA phytoceramide compound having a hexadecanoyl group attached to the nitrogen atom.
Last Modified1 October 2020
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC34H69NO4
Net Charge0
Average Mass555.929
Monoisotopic Mass555.52266
SMILESCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)[C@H](O)CCCCCCCCCCCCCC
InChIInChI=1S/C34H69NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(38)35-31(30-36)34(39)32(37)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-32,34,36-37,39H,3-30H2,1-2H3,(H,35,38)/t31-,32+,34-/m0/s1
InChIKeyIVBULNXGVIHEKN-MVIDNBQJSA-N
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-hexadecanoylphytosphingosine (CHEBI:65107) is a N-acylphytosphingosine (CHEBI:31998)
N-hexadecanoylphytosphingosine (CHEBI:65107) is a N-palmitoyl-sphingoid base (CHEBI:144703)
Incoming Relation(s)
N-hexadecanoylphytosphingosine-1-phosphoethanolamine zwitterion (CHEBI:78656) has functional parent N-hexadecanoylphytosphingosine (CHEBI:65107)
IUPAC Name 
N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]hexadecanamide
Synonyms  Source
N-(hexadecanoyl)-phytoceramideLIPID MAPS
N-(hexadecanoyl)-4R-hydroxysphinganineLIPID MAPS
N-(palmitoyl)-phytoceramideLIPID MAPS
Cer(t18:0/16:0)LIPID MAPS
UniProt Name  Source
N-hexadecanoyl-(4R)-hydroxysphinganineUniProt
Manual XrefsDatabases
LMSP02030001LIPID MAPS
Registry NumbersSources
Reaxys:8746856Reaxys