EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:215891 - Streptosetin A

ChEBI IDCHEBI:215891
ChEBI NameStreptosetin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H25NO5
Net Charge0
Average Mass347.411
Monoisotopic Mass347.17327
SMILESCC[C@@H]1CC(=O)[C@H]2[C@@H](CC=C(C)[C@@H]2O)[C@]1(C)C(O)=C1C(=O)CNC1=O
InChIInChI=1S/C19H25NO5/c1-4-10-7-12(21)14-11(6-5-9(2)16(14)23)19(10,3)17(24)15-13(22)8-20-18(15)25/h5,10-11,14,16,23-24H,4,6-8H2,1-3H3,(H,20,25)/t10-,11-,14-,16+,19-/m1/s1
InChIKeyVHGTVBAZDFWWOL-XHKYUUOZSA-N
Species of MetaboliteComponentSourceComments
Actinomyces (ncbitaxon:1654) - PubMed (23167691)
ChEBI Ontology
Outgoing Relation(s)
Streptosetin A (CHEBI:215891) is a pyrrolidinone (CHEBI:38275)
IUPAC Name 
3-[[(1R,2R,4aS,5R,8aR)-2-ethyl-5-hydroxy-1,6-dimethyl-4-oxo-2,3,4a,5,8,8a-hexahydronaphthalen-1-yl]-hydroxymethylidene]pyrrolidine-2,4-dione
Manual XrefsDatabases
78438099ChemSpider