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CHEBI:226139 - Terrelumamide A

ChEBI IDCHEBI:226139
ChEBI NameTerrelumamide A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H20N6O7
Net Charge0
Average Mass456.415
Monoisotopic Mass456.13935
SMILESCOC(=O)c1ccccc1NC(=O)[C@@H](NC(=O)c1cnc2c(n1)c(=O)nc(=O)n2C)[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)25-20(32)26(15)2/h4-9,13,27H,1-3H3,(H,23,29)(H,24,28)(H,25,30,32)/t9-,13+/m1/s1
InChIKeyYVUJATOOBNWJDN-RNCFNFMXSA-N
Species of MetaboliteComponentSourceComments
Aspergillus terreus (ncbitaxon:33178) - PubMed (25775424)
ChEBI Ontology
Outgoing Relation(s)
Terrelumamide A (CHEBI:226139) is a pteridines (CHEBI:26373)
IUPAC Name 
methyl 2-[[(2S,3R)-3-hydroxy-2-[(1-methyl-2,4-dioxopteridine-6-carbonyl)amino]butanoyl]amino]benzoate
Manual XrefsDatabases
35516822ChemSpider