CHEBI:206472 - Bilain A

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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 A
ChEBI ID CHEBI:206472
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H26N2O5S2
Net Charge 0
Average Mass 438.560
Monoisotopic Mass 438.12831
InChI InChI=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
InChIKey YVJJNCGPFXDJFU-GFAXEHQMSA-N
SMILES S([C@]1(N(C(=O)[C@@H](SC)N(C1=O)C)C)CC2=CC=C(OC/C=C(/C(=O)O)\C)C=C2)C
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
ChEBI Ontology
Outgoing 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
Manual Xref Database
23076710 ChemSpider
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