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CHEBI:218558 - Saroclazine A

ChEBI IDCHEBI:218558
ChEBI NameSaroclazine A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H26N2O3S2
Net Charge0
Average Mass394.562
Monoisotopic Mass394.13848
SMILESCS[C@H]1NC(=O)[C@@](Cc2ccc(OCC=C(C)C)cc2)(SC)N(C)C1=O
InChIInChI=1S/C19H26N2O3S2/c1-13(2)10-11-24-15-8-6-14(7-9-15)12-19(26-5)18(23)20-16(25-4)17(22)21(19)3/h6-10,16H,11-12H2,1-5H3,(H,20,23)/t16-,19-/m1/s1
InChIKeyNMQSSHOBHPHGEF-VQIMIIECSA-N
Species of MetaboliteComponentSourceComments
Sarocladium (ncbitaxon:284134) - PubMed (29103141)
ChEBI Ontology
Outgoing Relation(s)
Saroclazine A (CHEBI:218558) has functional parent α-amino acid (CHEBI:33704)
Saroclazine A (CHEBI:218558) is a organonitrogen compound (CHEBI:35352)
Saroclazine A (CHEBI:218558) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3R,6R)-1-methyl-6-[[4-(3-methylbut-2-enoxy)phenyl]methyl]-3,6-bis(methylsulanyl)piperazine-2,5-dione
Manual XrefsDatabases
71048707ChemSpider