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CHEBI:178698 - Penaresidin A

ChEBI IDCHEBI:178698
ChEBI NamePenaresidin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H39NO3
Net Charge0
Average Mass329.525
Monoisotopic Mass329.29299
SMILESCC[C@@H](C)[C@H](O)CCCCCCCCCC[C@@H]1N[C@@H](CO)[C@@H]1O
InChIInChI=1S/C19H39NO3/c1-3-15(2)18(22)13-11-9-7-5-4-6-8-10-12-16-19(23)17(14-21)20-16/h15-23H,3-14H2,1-2H3/t15-,16+,17+,18-,19-/m1/s1
InChIKeyVVMSPNITCDMCDP-ICBNADEASA-N
ChEBI Ontology
Outgoing Relation(s)
Penaresidin A (CHEBI:178698) is a azetidines (CHEBI:38777)
IUPAC Name 
(2S,3R,4S)-2-(hydroxymethyl)-4-[(11R,12R)-11-hydroxy-12-methyltetradecyl]azetidin-3-ol
Manual XrefsDatabases
155173ChemSpider
Registry NumbersSources
CAS:135574-62-8ChemIDplus