EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:201625 - Penilumamide B

ChEBI IDCHEBI:201625
ChEBI NamePenilumamide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H24N6O6S
Net Charge0
Average Mass500.537
Monoisotopic Mass500.14780
SMILESCOC(=O)c1ccccc1NC(=O)[C@H](CCSC)NC(=O)c1cnc2c(n1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C22H24N6O6S/c1-27-17-16(20(31)28(2)22(27)33)24-15(11-23-17)19(30)26-14(9-10-35-4)18(29)25-13-8-6-5-7-12(13)21(32)34-3/h5-8,11,14H,9-10H2,1-4H3,(H,25,29)(H,26,30)/t14-/m0/s1
InChIKeyBOEKMUKDDSBLKQ-AWEZNQCLSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (25001296)
ChEBI Ontology
Outgoing Relation(s)
Penilumamide B (CHEBI:201625) is a methionine derivative (CHEBI:25230)
IUPAC Name 
methyl 2-[[(2S)-2-[(1,3-dimethyl-2,4-dioxopteridine-6-carbonyl)amino]-4-methylsulanylbutanoyl]amino]benzoate
Manual XrefsDatabases
34981204ChemSpider