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CHEBI:83363 - N-(2-hydroxyhexacosanoyl)sphingosine

ChEBI IDCHEBI:83363
ChEBI NameN-(2-hydroxyhexacosanoyl)sphingosine
Stars
ASCII NameN-(2-hydroxyhexacosanoyl)sphingosine
DefinitionA 2-(2-hydroxyacyl)sphingosine in which the ceramide N-acyl group is specified as 2-hydroxyhexacosanoyl.
Last Modified8 January 2015
Submitterlaimo
DownloadsMolfile
FormulaC49H99N2O7P
Net Charge0
Average Mass859.312
Monoisotopic Mass858.71899
SMILESCCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)C(O)CCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C49H99N2O7P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-48(53)49(54)50-46(45-58-59(55,56)57-44-43-51(3,4)5)47(52)41-39-37-35-33-31-29-19-17-15-13-11-9-7-2/h39,41,46-48,52-53H,6-38,40,42-45H2,1-5H3,(H-,50,54,55,56)/b41-39+/t46-,47+,48?/m0/s1
InChIKeyUOLYNQWQXLOAFS-BZHHYNOTSA-N
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
N-(2-hydroxyhexacosanoyl)sphingosine (CHEBI:83363) has functional parent 2-hydroxyhexacosanoic acid (CHEBI:76986)
N-(2-hydroxyhexacosanoyl)sphingosine (CHEBI:83363) is a 2-(2-hydroxyacyl)sphingosine (CHEBI:16456)
IUPAC Name 
(2S,3R,4E)-3-hydroxy-2-[(2-hydroxyhexacosanoyl)amino]octadec-4-en-1-yl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
N-(2-hydroxyhexacosanoyl)sphing-4-enineSUBMITTER
Ceramide (d18:1/h26:0)SUBMITTER
(2S,3R,4E)-3-hydroxy-2-[(2-hydroxyhexacosanoyl)amino]octadec-4-en-1-yl 2-(trimethylammonio)ethyl phosphateIUPAC
UniProt Name  Source
N-2-hydroxyhexacosanoylsphing-4-enineUniProt