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CHEBI:66985 - N-(docosanoyl)-4-hydroxyeicosasphinganine

Default Structure
ChEBI IDCHEBI:66985
ChEBI NameN-(docosanoyl)-4-hydroxyeicosasphinganine
Stars
ASCII NameN-(docosanoyl)-4-hydroxyeicosasphinganine
DefinitionA ceramide that is the N-docosanoyl derivative of 4-hydroxyeicosasphinganine.
Last Modified4 February 2013
SubmitterAlan Bridge
DownloadsMolfile
FormulaC42H85NO4
Net Charge0
Average Mass668.145
Monoisotopic Mass667.64786
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)[C@H](O)CCCCCCCCCCCCCCCC
InChIInChI=1S/C42H85NO4/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-41(46)43-39(38-44)42(47)40(45)36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h39-40,42,44-45,47H,3-38H2,1-2H3,(H,43,46)/t39-,40+,42-/m0/s1
InChIKeyPVYQVQNWNVQYMD-LFVSMIGWSA-N
ChEBI Ontology
Outgoing Relation(s)
N-(docosanoyl)-4-hydroxyeicosasphinganine (CHEBI:66985) is a C20 phytoceramide (CHEBI:71985)
IUPAC Name 
N-[(2S,3S,4R)-1,3,4-trihydroxyicosan-2-yl]docosanamide
Synonyms  Source
Cer(t20:0/22:0)SUBMITTER
N-(docosanoyl)-4-hydroxyicosasphinganineChEBI
N-docosanoyl-C20-phytosphingosineChEBI
N-(docosanoyl)-4R-hydroxyeicosasphinganineLIPID MAPS
PHC-B 20:0/22:0SUBMITTER
Manual XrefsDatabases
LMSP02030012LIPID MAPS
Registry NumbersSources
Reaxys:7318771Reaxys