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CHEBI:172804 - N-(2R-Hydroxyhexacosanoyl)-2S-amino-1,3S,4R-octadecanetriol

ChEBI IDCHEBI:172804
ChEBI NameN-(2R-Hydroxyhexacosanoyl)-2S-amino-1,3S,4R-octadecanetriol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H89NO5
Net Charge0
Average Mass712.198
Monoisotopic Mass711.67407
SMILESCCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)C(O)CCCCCCCCCCCCCC
InChIInChI=1S/C44H89NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-42(48)44(50)45-40(39-46)43(49)41(47)37-35-33-31-29-27-16-14-12-10-8-6-4-2/h40-43,46-49H,3-39H2,1-2H3,(H,45,50)
InChIKeyXNLFLZXNXQVPII-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
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-(2R-Hydroxyhexacosanoyl)-2S-amino-1,3S,4R-octadecanetriol (CHEBI:172804) is a N-acylphytosphingosine (CHEBI:31998)
IUPAC Name 
2-hydroxy-N-(1,3,4-trihydroxyoctadecan-2-yl)hexacosanamide
Manual XrefsDatabases
259815ChemSpider
HMDB0035472HMDB