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CHEBI:218219 - Isoterrelumamide A

Default Structure
ChEBI IDCHEBI:218219
ChEBI NameIsoterrelumamide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H20N6O7
Net Charge0
Average Mass456.415
Monoisotopic Mass456.13935
SMILESCOC(=O)c1ccccc1NC(=O)[C@@H](NC(=O)c1cnc2nc(=O)n(C)c(=O)c2n1)[C@@H](C)O
InChIInChI=1S/C20H20N6O7/c1-9(27)13(17(29)23-11-7-5-4-6-10(11)19(31)33-3)24-16(28)12-8-21-15-14(22-12)18(30)26(2)20(32)25-15/h4-9,13,27H,1-3H3,(H,23,29)(H,24,28)(H,21,25,32)/t9-,13+/m1/s1
InChIKeyPGFJTKVAJSTSGY-RNCFNFMXSA-N
Species of MetaboliteComponentSourceComments
Aspergillus carneus (ncbitaxon:41282) - PubMed (30312652)
ChEBI Ontology
Outgoing Relation(s)
Isoterrelumamide A (CHEBI:218219) is a pteridines (CHEBI:26373)
IUPAC Name 
methyl 2-[[(2S,3R)-3-hydroxy-2-[(3-methyl-2,4-dioxo-1H-pteridine-6-carbonyl)amino]butanoyl]amino]benzoate
Manual XrefsDatabases
71049012ChemSpider