EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:221490 - Fellutanine B

ChEBI IDCHEBI:221490
ChEBI NameFellutanine B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H28N4O2
Net Charge0
Average Mass440.547
Monoisotopic Mass440.22123
SMILESC=CC(C)(C)c1nc2ccccc2c1C[C@@H]1NC(=O)[C@@H](Cc2cnc3ccccc23)NC1=O
InChIInChI=1S/C27H28N4O2/c1-4-27(2,3)24-19(18-10-6-8-12-21(18)29-24)14-23-26(33)30-22(25(32)31-23)13-16-15-28-20-11-7-5-9-17(16)20/h4-12,15,22-23,28-29H,1,13-14H2,2-3H3,(H,30,33)(H,31,32)/t22-,23+/m1/s1
InChIKeyPFYKDKMYQRWRGF-PKTZIBPZSA-N
Species of MetaboliteComponentSourceComments
Penicillium fellutanum (ncbitaxon:70095) - PubMed (10843594)
ChEBI Ontology
Outgoing Relation(s)
Fellutanine B (CHEBI:221490) has functional parent α-amino acid (CHEBI:33704)
Fellutanine B (CHEBI:221490) is a organonitrogen compound (CHEBI:35352)
Fellutanine B (CHEBI:221490) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3R,6S)-3-(1H-indol-3-ylmethyl)-6-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl]piperazine-2,5-dione
Manual XrefsDatabases
8822129ChemSpider