CHEBI:212360 - A26771E

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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 A26771E
ChEBI ID CHEBI:212360
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H22N2O3S2
Net Charge 0
Average Mass 354.480
Monoisotopic Mass 354.10718
InChI InChI=1S/C16H22N2O3S2/c1-17-14(21)16(11-19,23-4)18(2)13(20)15(17,22-3)10-12-8-6-5-7-9-12/h5-9,19H,10-11H2,1-4H3
InChIKey WXIJHVRXTHDGKV-UHFFFAOYSA-N
SMILES S(C1(N(C(=O)C(SC)(CC2=CC=CC=C2)N(C1=O)C)C)CO)C
Metabolite of Species Details
Penicillium turbatum (NCBI:txid70105) See: PubMed
ChEBI Ontology
Outgoing A26771E (CHEBI:212360) has functional parent α-amino acid (CHEBI:33704)
A26771E (CHEBI:212360) is a organonitrogen compound (CHEBI:35352)
A26771E (CHEBI:212360) is a organooxygen compound (CHEBI:36963)
IUPAC Name
3-benzyl-6-(hydroxymethyl)-1,4-dimethyl-3,6-bis(methylsulanyl)piperazine-2,5-dione
Manual Xref Database
149399 ChemSpider
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