EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:205229 - Polanrazine B

ChEBI IDCHEBI:205229
ChEBI NamePolanrazine B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H23N3O2S2
Net Charge0
Average Mass377.535
Monoisotopic Mass377.12317
SMILESCS[C@@]1(C(C)C)NC(=O)[C@@](Cc2cnc3ccccc23)(SC)NC1=O
InChIInChI=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
InChIKeyJXDWMFMAEDSXNI-QZTJIDSGSA-N
Species of MetaboliteComponentSourceComments
Plenodomus lingam (ncbitaxon:5022) - DOI (10.1016/s0031-9422(01)00348-x)
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
552362ChemSpider