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CHEBI:226684 - Penilumamide I

ChEBI IDCHEBI:226684
ChEBI NamePenilumamide I
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H21N7O7
Net Charge0
Average Mass483.441
Monoisotopic Mass483.15025
SMILESCn1c(=O)c2nc(C(=O)N[C@@H](CCC(N)=O)C(=O)Nc3ccccc3C(=O)O)cnc2n(C)c1=O
InChIInChI=1S/C21H21N7O7/c1-27-16-15(19(32)28(2)21(27)35)24-13(9-23-16)18(31)26-12(7-8-14(22)29)17(30)25-11-6-4-3-5-10(11)20(33)34/h3-6,9,12H,7-8H2,1-2H3,(H2,22,29)(H,25,30)(H,26,31)(H,33,34)/t12-/m0/s1
InChIKeyHRKLNLPJFUJOCY-LBPRGKRZSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (32568536)
ChEBI Ontology
Outgoing Relation(s)
Penilumamide I (CHEBI:226684) is a glutamine derivative (CHEBI:70813)
IUPAC Name 
2-[[(2S)-5-amino-2-[(1,3-dimethyl-2,4-dioxopteridine-6-carbonyl)amino]-5-oxopentanoyl]amino]benzoic acid