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CHEBI:72034 - N-tricontanoyl-4-hydroxyicosasphinganine

Default Structure
ChEBI IDCHEBI:72034
ChEBI NameN-tricontanoyl-4-hydroxyicosasphinganine
Stars
ASCII NameN-tricontanoyl-4-hydroxyicosasphinganine
DefinitionA C20 phytoceramide in which the ceramide N-acyl group is specified as tricontanoyl.
Last Modified12 June 2015
SubmitterAlan Bridge
DownloadsMolfile
FormulaC50H101NO4
Net Charge0
Average Mass780.361
Monoisotopic Mass779.77306
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)[C@H](O)CCCCCCCCCCCCCCCC
InChIInChI=1S/C50H101NO4/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-33-35-37-39-41-43-45-49(54)51-47(46-52)50(55)48(53)44-42-40-38-36-34-32-18-16-14-12-10-8-6-4-2/h47-48,50,52-53,55H,3-46H2,1-2H3,(H,51,54)/t47-,48+,50-/m0/s1
InChIKeyLKNMJLMMKAVYCN-ITVUJDHZSA-N
ChEBI Ontology
Outgoing Relation(s)
N-tricontanoyl-4-hydroxyicosasphinganine (CHEBI:72034) is a C20 phytoceramide (CHEBI:71985)
IUPAC Name 
N-[(2S,3S,4R)-1,3,4-trihydroxyicosan-2-yl]triacontanamide
Synonyms  Source
Cer(t20:0/30:0)SUBMITTER
N-tricontanoyl-4-hydroxyeicosaphytosphinganineChEBI
N-(tricontanoyl)icosaphytosphingosineChEBI
PHC-B 20:0/30:0SUBMITTER