EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:72968 - N-hexacosanoylsphingosine

ChEBI IDCHEBI:72968
ChEBI NameN-hexacosanoylsphingosine
Stars
ASCII NameN-hexacosanoylsphingosine
DefinitionA N-acylsphingosine in which the ceramide N-acyl group is specified as hexacosanoyl.
Last Modified23 October 2015
SubmitterAlan Bridge
DownloadsMolfile
FormulaC44H87NO3
Net Charge0
Average Mass678.184
Monoisotopic Mass677.66860
SMILESCCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C44H87NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-44(48)45-42(41-46)43(47)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2/h37,39,42-43,46-47H,3-36,38,40-41H2,1-2H3,(H,45,48)/b39-37+/t42-,43+/m0/s1
InChIKeyCJROVRTUSFQVMR-GVOPMEMSSA-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).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
N-hexacosanoylsphingosine (CHEBI:72968) has functional parent hexacosanoic acid (CHEBI:31009)
N-hexacosanoylsphingosine (CHEBI:72968) has role mouse metabolite (CHEBI:75771)
N-hexacosanoylsphingosine (CHEBI:72968) is a N-(very-long-chain fatty acyl)-sphingoid base (CHEBI:144712)
N-hexacosanoylsphingosine (CHEBI:72968) is a N-acylsphingosine (CHEBI:52639)
IUPAC Name 
N-[(2S,3R,4E)-1,3-dihydroxyoctadec-4-en-2-yl]hexacosanamide
Synonyms  Source
Cer(d18:1/26:0)SUBMITTER
C26 CerLIPID MAPS
N-hexacosanoylsphing-4-enineSUBMITTER
N-(hexacosanoyl)sphing-4-enineSUBMITTER
N-(hexacosanoyl)ceramideLIPID MAPS
Manual XrefsDatabases
LMSP02010011LIPID MAPS
HMDB0004955HMDB
Registry NumbersSources
Reaxys:5780584Reaxys