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CHEBI:203748 - A26771A

ChEBI IDCHEBI:203748
ChEBI NameA26771A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC14H16N2O3S2
Net Charge0
Average Mass324.427
Monoisotopic Mass324.06023
SMILESCN1C(=O)[C@@]2(Cc3ccccc3)SS[C@]1(CO)C(=O)N2C
InChIInChI=1S/C14H16N2O3S2/c1-15-12(19)14(9-17)16(2)11(18)13(15,20-21-14)8-10-6-4-3-5-7-10/h3-7,17H,8-9H2,1-2H3/t13-,14-/m1/s1
InChIKeySJRIMIDQFZMJPZ-ZIAGYGMSSA-N
Species of MetaboliteComponentSourceComments
Penicillium turbatum (ncbitaxon:70105) - PubMed (4367201)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
A26771A (CHEBI:203748) is a 2,5-diketopiperazines (CHEBI:65061)
A26771A (CHEBI:203748) is a indoles (CHEBI:24828)
A26771A (CHEBI:203748) is a organic disulfide (CHEBI:35489)
A26771A (CHEBI:203748) is a organic heteropentacyclic compound (CHEBI:38164)
IUPAC Name 
(1R,4R)-1-benzyl-4-(hydroxymethyl)-5,7-dimethyl-2,3-dithia-5,7-diazabicyclo[2.2.2]octane-6,8-dione
Manual XrefsDatabases
78437052ChemSpider