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CHEBI:216955 - Bilain B

ChEBI IDCHEBI:216955
ChEBI NameBilain B
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FormulaC20H30N2O5S2
Net Charge0
Average Mass442.603
Monoisotopic Mass442.15961
SMILESCS[C@@H]1C(=O)N(C)[C@](Cc2ccc(OCC(O)C(C)(C)O)cc2)(SC)C(=O)N1C
InChIInChI=1S/C20H30N2O5S2/c1-19(2,26)15(23)12-27-14-9-7-13(8-10-14)11-20(29-6)18(25)21(3)17(28-5)16(24)22(20)4/h7-10,15,17,23,26H,11-12H2,1-6H3/t15?,17-,20-/m1/s1
InChIKeyHBLAMZDFTYTDRD-LQRGHNGLSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (17958395)
ChEBI Ontology
Outgoing Relation(s)
Bilain B (CHEBI:216955) has functional parent α-amino acid (CHEBI:33704)
Bilain B (CHEBI:216955) is a organonitrogen compound (CHEBI:35352)
Bilain B (CHEBI:216955) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3R,6R)-3-[[4-(2,3-dihydroxy-3-methylbutoxy)phenyl]methyl]-1,4-dimethyl-3,6-bis(methylsulanyl)piperazine-2,5-dione
Manual XrefsDatabases
23076711ChemSpider