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CHEBI:211079 - N-(2'hydroxynonacosanoyl)-o-erythro-1,3,4-trihydroxy-2-amino-octadecane

ChEBI IDCHEBI:211079
ChEBI NameN-(2'hydroxynonacosanoyl)-o-erythro-1,3,4-trihydroxy-2-amino-octadecane
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H95NO5
Net Charge0
Average Mass754.279
Monoisotopic Mass753.72103
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](CO)[C@H](O)[C@H](O)CCCCCCCCCCCCCC
InChIInChI=1S/C47H95NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-45(51)47(53)48-43(42-49)46(52)44(50)40-38-36-34-32-30-16-14-12-10-8-6-4-2/h43-46,49-52H,3-42H2,1-2H3,(H,48,53)/t43-,44+,45?,46-/m0/s1
InChIKeyXWMUTMUQIQRXHZ-MSIKBXLWSA-N
Species of MetaboliteComponentSourceComments
Porodaedalea pini (ncbitaxon:108901) - DOI (10.1016/0031-9422(96)00335-4)
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-(2'hydroxynonacosanoyl)-o-erythro-1,3,4-trihydroxy-2-amino-octadecane (CHEBI:211079) is a N-acylphytosphingosine (CHEBI:31998)
IUPAC Name 
2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]nonacosanamide
Manual XrefsDatabases
78441311ChemSpider