CHEBI:205229 - Polanrazine 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 Polanrazine B
ChEBI ID CHEBI:205229
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C18H23N3O2S2
Net Charge 0
Average Mass 377.520
Monoisotopic Mass 377.12317
InChI InChI=1S/C18H23N3O2S2/c1-11(2)18(25-4)16(23)20-17(24-3,15(22)21-18)9-12-10-19-14-8-6-5-7-13(12)14/h5-8,10-11,19H,9H2,1-4H3,(H,20,23)(H,21,22)/t17-,18-/m1/s1
InChIKey JXDWMFMAEDSXNI-QZTJIDSGSA-N
SMILES S([C@]1(NC(=O)[C@](SC)(CC=2C3=C(C=CC=C3)NC2)NC1=O)C(C)C)C
Metabolite of Species Details
Plenodomus lingam (NCBI:txid5022) See: DOI
ChEBI Ontology
Outgoing Polanrazine B (CHEBI:205229) has functional parent α-amino acid (CHEBI:33704)
Polanrazine B (CHEBI:205229) is a organonitrogen compound (CHEBI:35352)
Polanrazine B (CHEBI:205229) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(3R,6R)-3-(1H-indol-3-ylmethyl)-3,6-bis(methylsulanyl)-6-propan-2-ylpiperazine-2,5-dione
Manual Xref Database
552362 ChemSpider
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