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CHEBI:78001 - N-dodecanoylphytosphingosine

ChEBI IDCHEBI:78001
ChEBI NameN-dodecanoylphytosphingosine
Stars
ASCII NameN-dodecanoylphytosphingosine
DefinitionA phytoceramide in which the ceramide N-acyl group is specified as dodecanoyl.
Last Modified8 October 2020
Submitternhn
DownloadsMolfile
FormulaC30H61NO4
Net Charge0
Average Mass499.821
Monoisotopic Mass499.46006
SMILESCCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCC
InChIInChI=1S/C30H61NO4/c1-3-5-7-9-11-13-14-15-17-18-20-22-24-28(33)30(35)27(26-32)31-29(34)25-23-21-19-16-12-10-8-6-4-2/h27-28,30,32-33,35H,3-26H2,1-2H3,(H,31,34)/t27-,28+,30-/m0/s1
InChIKeyNGPJDSJKORHGMX-LXQNXJGFSA-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-dodecanoylphytosphingosine (CHEBI:78001) has functional parent dodecanoic acid (CHEBI:30805)
N-dodecanoylphytosphingosine (CHEBI:78001) is a N-acylphytosphingosine (CHEBI:31998)
IUPAC Name 
N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]dodecanamide
Synonyms  Source
N-dodecanoyl-4-R-hydroxyoctadecasphinganineSUBMITTER
N-lauroylphytosphingosineChEBI
N-lauroyl-4-hydroxysphingosineChEBI
N-dodecanoyl-4-hydroxysphingosineChEBI
UniProt Name  Source
N-dodecanoyl-(4R)-hydroxysphinganineUniProt
Registry NumbersSources
Reaxys:10777629Reaxys
Citations