EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:205935 - Pseudellone D

ChEBI IDCHEBI:205935
ChEBI NamePseudellone D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H17N3O2S
Net Charge0
Average Mass303.387
Monoisotopic Mass303.10415
SMILESCS[C@@]1(Cc2cnc3ccccc23)NC(=O)[C@H](C)NC1=O
InChIInChI=1S/C15H17N3O2S/c1-9-13(19)18-15(21-2,14(20)17-9)7-10-8-16-12-6-4-3-5-11(10)12/h3-6,8-9,16H,7H2,1-2H3,(H,17,20)(H,18,19)/t9-,15+/m0/s1
InChIKeyQPRWHEUQOMQXFW-BJOHPYRUSA-N
Species of MetaboliteComponentSourceComments
Pseudallescheria (ncbitaxon:5596) - PubMed (27043524)
ChEBI Ontology
Outgoing Relation(s)
Pseudellone D (CHEBI:205935) has functional parent α-amino acid (CHEBI:33704)
Pseudellone D (CHEBI:205935) is a organonitrogen compound (CHEBI:35352)
Pseudellone D (CHEBI:205935) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3R,6S)-3-(1H-indol-3-ylmethyl)-6-methyl-3-methylsulanylpiperazine-2,5-dione
Manual XrefsDatabases
58196771ChemSpider