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CHEBI:225974 - Penilumamide C

ChEBI IDCHEBI:225974
ChEBI NamePenilumamide C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H24N6O8S
Net Charge0
Average Mass532.535
Monoisotopic Mass532.13763
SMILESCOC(=O)c1ccccc1NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1cnc2c(n1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C22H24N6O8S/c1-27-17-16(20(31)28(2)22(27)33)24-15(11-23-17)19(30)26-14(9-10-37(4,34)35)18(29)25-13-8-6-5-7-12(13)21(32)36-3/h5-8,11,14H,9-10H2,1-4H3,(H,25,29)(H,26,30)/t14-/m0/s1
InChIKeyRJLPKFRRHLDCSV-AWEZNQCLSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (25001296)
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 C (CHEBI:225974) is a amidobenzoic acid (CHEBI:48470)
IUPAC Name 
methyl 2-[[(2S)-2-[(1,3-dimethyl-2,4-dioxopteridine-6-carbonyl)amino]-4-methylsulonylbutanoyl]amino]benzoate
Manual XrefsDatabases
34981205ChemSpider