EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:202692 - Chrysogenamide A

Default Structure
ChEBI IDCHEBI:202692
ChEBI NameChrysogenamide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H37N3O2
Net Charge0
Average Mass447.623
Monoisotopic Mass447.28858
SMILESCC(C)=CCc1cccc2c1NC(=O)[C@]21C[C@@]23CN4[C@@H](C)CCC[C@]4(CC2C1(C)C)C(=O)N3
InChIInChI=1S/C28H37N3O2/c1-17(2)11-12-19-9-6-10-20-22(19)29-24(33)28(20)15-26-16-31-18(3)8-7-13-27(31,23(32)30-26)14-21(26)25(28,4)5/h6,9-11,18,21H,7-8,12-16H2,1-5H3,(H,29,33)(H,30,32)/t18-,21?,26+,27-,28-/m0/s1
InChIKeyOFVLVORZFFTHHV-OJLVKCQKSA-N
Species of MetaboliteComponentSourceComments
Penicillium chrysogenum (ncbitaxon:5076) - PubMed (18408327)
ChEBI Ontology
Outgoing Relation(s)
Chrysogenamide A (CHEBI:202692) is a amino acid amide (CHEBI:22475)
IUPAC Name 
(1'S,3S,4'S,8'S)-4',11',11'-trimethyl-7-(3-methylbut-2-enyl)spiro[1H-indole-3,12'-3,14-diazatetracyclo[6.5.2.01,10.03,8]pentadecane]-2,15'-dione
Manual XrefsDatabases
28285088ChemSpider