EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:202368 - (2S, 3S, 4R)-2-[(2'R)-2'-hydroxypentacosanoylamino]-1, 3, 4-octadecanetriol

ChEBI IDCHEBI:202368
ChEBI Name(2S, 3S, 4R)-2-[(2'R)-2'-hydroxypentacosanoylamino]-1, 3, 4-octadecanetriol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H87NO5
Net Charge0
Average Mass698.171
Monoisotopic Mass697.65842
SMILESCCCCCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO)[C@H](O)[C@H](O)CCCCCCCCCCCCCC
InChIInChI=1S/C43H87NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-41(47)43(49)44-39(38-45)42(48)40(46)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h39-42,45-48H,3-38H2,1-2H3,(H,44,49)/t39-,40+,41+,42-/m0/s1
InChIKeyYADUGDLSXPPFIP-YIEWKAQUSA-N
Species of MetaboliteComponentSourceComments
Grifola (ncbitaxon:5626) - PubMed (10993238)
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
(2S, 3S, 4R)-2-[(2'R)-2'-hydroxypentacosanoylamino]-1, 3, 4-octadecanetriol (CHEBI:202368) is a N-acylphytosphingosine (CHEBI:31998)
IUPAC Name 
(2R)-2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]pentacosanamide
Manual XrefsDatabases
8755938ChemSpider