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CHEBI:206472 - Bilain A

ChEBI IDCHEBI:206472
ChEBI NameBilain A
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FormulaC20H26N2O5S2
Net Charge0
Average Mass438.571
Monoisotopic Mass438.12831
SMILESCS[C@@H]1C(=O)N(C)[C@](Cc2ccc(OC/C=C(\C)C(=O)O)cc2)(SC)C(=O)N1C
InChIInChI=1S/C20H26N2O5S2/c1-13(18(24)25)10-11-27-15-8-6-14(7-9-15)12-20(29-5)19(26)21(2)17(28-4)16(23)22(20)3/h6-10,17H,11-12H2,1-5H3,(H,24,25)/b13-10+/t17-,20-/m1/s1
InChIKeyYVJJNCGPFXDJFU-GFAXEHQMSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (17958395)
ChEBI Ontology
Outgoing Relation(s)
Bilain A (CHEBI:206472) has functional parent α-amino acid (CHEBI:33704)
Bilain A (CHEBI:206472) is a organonitrogen compound (CHEBI:35352)
Bilain A (CHEBI:206472) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(E)-4-[4-[[(2R,5R)-1,4-dimethyl-2,5-bis(methylsulanyl)-3,6-dioxopiperazin-2-yl]methyl]phenoxy]-2-methylbut-2-enoic acid
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23076710ChemSpider