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CHEBI:206911 - Thaxtomin A

ChEBI IDCHEBI:206911
ChEBI NameThaxtomin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H22N4O6
Net Charge0
Average Mass438.440
Monoisotopic Mass438.15393
SMILESCN1C(=O)[C@](O)(Cc2cccc(O)c2)N(C)C(=O)[C@@H]1Cc1cnc2cccc([N+](=O)[O-])c12
InChIInChI=1S/C22H22N4O6/c1-24-18(10-14-12-23-16-7-4-8-17(19(14)16)26(31)32)20(28)25(2)22(30,21(24)29)11-13-5-3-6-15(27)9-13/h3-9,12,18,23,27,30H,10-11H2,1-2H3/t18-,22+/m0/s1
InChIKeyQRDNJYNIEGRRKV-PGRDOPGGSA-N
Species of MetaboliteComponentSourceComments
Streptomyces scabiei (ncbitaxon:1930) - DOI (10.1039/c39890000849)
ChEBI Ontology
Outgoing Relation(s)
Thaxtomin A (CHEBI:206911) has functional parent α-amino acid (CHEBI:33704)
Thaxtomin A (CHEBI:206911) is a organonitrogen compound (CHEBI:35352)
Thaxtomin A (CHEBI:206911) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3R,6S)-3-hydroxy-3-[(3-hydroxyphenyl)methyl]-1,4-dimethyl-6-[(4-nitro-1H-indol-3-yl)methyl]piperazine-2,5-dione
Manual XrefsDatabases
156732ChemSpider