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CHEBI:206100 - Bilain D

ChEBI IDCHEBI:206100
ChEBI NameBilain D
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FormulaC19H28N2O5S
Net Charge0
Average Mass396.509
Monoisotopic Mass396.17189
SMILESCS[C@@H]1C(=O)N(C)[C@@H](Cc2ccc(OC[C@@H](O)C(C)(C)O)cc2)C(=O)N1C
InChIInChI=1S/C19H28N2O5S/c1-19(2,25)15(22)11-26-13-8-6-12(7-9-13)10-14-16(23)21(4)18(27-5)17(24)20(14)3/h6-9,14-15,18,22,25H,10-11H2,1-5H3/t14-,15+,18+/m0/s1
InChIKeyDXKZHOFMXXPYED-HDMKZQKVSA-N
Species of MetaboliteComponentSourceComments
Myrothecium (ncbitaxon:5531) - PubMed (26320597)
ChEBI Ontology
Outgoing Relation(s)
Bilain D (CHEBI:206100) has functional parent α-amino acid (CHEBI:33704)
Bilain D (CHEBI:206100) is a organonitrogen compound (CHEBI:35352)
Bilain D (CHEBI:206100) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3S,6R)-3-[[4-[(2R)-2,3-dihydroxy-3-methylbutoxy]phenyl]methyl]-1,4-dimethyl-6-methylsulanylpiperazine-2,5-dione
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78438397ChemSpider