EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:209409 - A26771C

ChEBI IDCHEBI:209409
ChEBI NameA26771C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H16N2O3S4
Net Charge0
Average Mass388.561
Monoisotopic Mass388.00438
SMILESCN1C(=O)C2(Cc3ccccc3)SSSSC1(CO)C(=O)N2C
InChIInChI=1S/C14H16N2O3S4/c1-15-12(19)14(9-17)16(2)11(18)13(15,20-22-23-21-14)8-10-6-4-3-5-7-10/h3-7,17H,8-9H2,1-2H3
InChIKeyZYCWSJZSSQRRKF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Penicillium turbatum (ncbitaxon:70105) - PubMed (4367201)
ChEBI Ontology
Outgoing Relation(s)
A26771C (CHEBI:209409) has functional parent α-amino acid (CHEBI:33704)
A26771C (CHEBI:209409) is a organonitrogen compound (CHEBI:35352)
A26771C (CHEBI:209409) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
1-benzyl-6-(hydroxymethyl)-7,9-dimethyl-2,3,4,5-tetrathia-7,9-diazabicyclo[4.2.2]decane-8,10-dione
Manual XrefsDatabases
78434968ChemSpider