CHEBI:216955 - Bilain B

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Bilain B
ChEBI ID CHEBI:216955
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H30N2O5S2
Net Charge 0
Average Mass 442.590
Monoisotopic Mass 442.15961
InChI InChI=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
InChIKey HBLAMZDFTYTDRD-LQRGHNGLSA-N
SMILES S([C@]1(N(C(=O)[C@@H](SC)N(C1=O)C)C)CC2=CC=C(OCC(O)C(O)(C)C)C=C2)C
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
23076711 ChemSpider
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