CHEBI:206911 - Thaxtomin 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 Thaxtomin A
ChEBI ID CHEBI:206911
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H22N4O6
Net Charge 0
Average Mass 438.440
Monoisotopic Mass 438.15393
InChI InChI=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
InChIKey QRDNJYNIEGRRKV-PGRDOPGGSA-N
SMILES O=[N+]([O-])C1=C2C(NC=C2C[C@@H]3N(C(=O)[C@](O)(CC4=CC(O)=CC=C4)N(C3=O)C)C)=CC=C1
Metabolite of Species Details
Streptomyces scabiei (NCBI:txid1930) See: DOI
ChEBI Ontology
Outgoing 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 Xref Database
156732 ChemSpider
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