CHEBI:203237 - 14,20-Dideoxy-thaxtomin A

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 14,20-Dideoxy-thaxtomin A
ChEBI ID CHEBI:203237
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000004097885
Download Molfile XML SDF
Formula C22H22N4O4
Net Charge 0
Average Mass 406.442
Monoisotopic Mass 406.16411
InChI InChI=1S/C22H22N4O4/c1-24-18(11-14-7-4-3-5-8-14)21(27)25(2)19(22(24)28)12-15-13-23-16-9-6-10-17(20(15)16)26(29)30/h3-10,13,18-19,23H,11-12H2,1-2H3/t18?,19-/m0/s1
InChIKey GJJXGBLNXDIHIQ-GGYWPGCISA-N
SMILES O=[N+]([O-])C1=C2C(NC=C2C[C@@H]3N(C(=O)C(CC4=CC=CC=C4)N(C3=O)C)C)=CC=C1
Metabolite of Species Details
Streptomyces scabiei (NCBI:txid1930) See: DOI
ChEBI Ontology
Outgoing 14,20-Dideoxy-thaxtomin A (CHEBI:203237) has functional parent α-amino acid (CHEBI:33704)
14,20-Dideoxy-thaxtomin A (CHEBI:203237) is a organonitrogen compound (CHEBI:35352)
14,20-Dideoxy-thaxtomin A (CHEBI:203237) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(6S)-3-benzyl-1,4-dimethyl-6-[(4-nitro-1H-indol-3-yl)methyl]piperazine-2,5-dione
Manual Xref Database
78439654 ChemSpider
View more database links