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CHEBI:226707 - Penilumamide J

ChEBI IDCHEBI:226707
ChEBI NamePenilumamide J
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22N6O7S
Net Charge0
Average Mass502.509
Monoisotopic Mass502.12707
SMILESCn1c(=O)c2nc(C(=O)N[C@@H](CCS(C)=O)C(=O)Nc3ccccc3C(=O)O)cnc2n(C)c1=O
InChIInChI=1S/C21H22N6O7S/c1-26-16-15(19(30)27(2)21(26)33)23-14(10-22-16)18(29)25-13(8-9-35(3)34)17(28)24-12-7-5-4-6-11(12)20(31)32/h4-7,10,13H,8-9H2,1-3H3,(H,24,28)(H,25,29)(H,31,32)/t13-,35?/m0/s1
InChIKeyLGAQNSFMVZYPRH-VCHRQOTCSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (32568536)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Penilumamide J (CHEBI:226707) is a amidobenzoic acid (CHEBI:48470)
IUPAC Name 
2-[[(2S)-2-[(1,3-dimethyl-2,4-dioxopteridine-6-carbonyl)amino]-4-methylsulinylbutanoyl]amino]benzoic acid