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CHEBI:202532 - Aspergilumamide A

ChEBI IDCHEBI:202532
ChEBI NameAspergilumamide A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H23N7O7
Net Charge0
Average Mass497.468
Monoisotopic Mass497.16590
SMILESCOC(=O)c1ccccc1NC(=O)[C@H](CCC(N)=O)NC(=O)c1cnc2c(n1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C22H23N7O7/c1-28-17-16(20(33)29(2)22(28)35)25-14(10-24-17)19(32)27-13(8-9-15(23)30)18(31)26-12-7-5-4-6-11(12)21(34)36-3/h4-7,10,13H,8-9H2,1-3H3,(H2,23,30)(H,26,31)(H,27,32)/t13-/m0/s1
InChIKeyMEICOTRNKNPKQV-ZDUSSCGKSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies 33241 (ncbitaxon:1464154) - DOI (10.1002/hlca.201400197)
ChEBI Ontology
Outgoing Relation(s)
Aspergilumamide A (CHEBI:202532) is a pteridines (CHEBI:26373)
IUPAC Name 
methyl 2-[[(2S)-5-amino-2-[(1,3-dimethyl-2,4-dioxopteridine-6-carbonyl)amino]-5-oxopentanoyl]amino]benzoate
Manual XrefsDatabases
35516886ChemSpider