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CHEBI:197982 - Penilumamide

ChEBI IDCHEBI:197982
ChEBI NamePenilumamide
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H24N6O7S
Net Charge0
Average Mass516.536
Monoisotopic Mass516.14272
SMILESCOC(=O)c1ccccc1NC(=O)[C@H](CCS(C)=O)NC(=O)c1cnc2c(n1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C22H24N6O7S/c1-27-17-16(20(31)28(2)22(27)33)24-15(11-23-17)19(30)26-14(9-10-36(4)34)18(29)25-13-8-6-5-7-12(13)21(32)35-3/h5-8,11,14H,9-10H2,1-4H3,(H,25,29)(H,26,30)/t14-,36?/m0/s1
InChIKeyHBYOXRNNWKRVRJ-AWQBSFGZSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (20401392)
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 (CHEBI:197982) is a amidobenzoic acid (CHEBI:48470)
IUPAC Name 
methyl 2-[[(2S)-2-[(1,3-dimethyl-2,4-dioxopteridine-6-carbonyl)amino]-4-methylsulinylbutanoyl]amino]benzoate
Manual XrefsDatabases
27025365ChemSpider