EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:225567 - Solitumine B

ChEBI IDCHEBI:225567
ChEBI NameSolitumine B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H25N3O4
Net Charge0
Average Mass371.437
Monoisotopic Mass371.18451
SMILESC=CC(C)(C)c1nc2ccccc2c(=O)c1CNC(=O)CC[C@H](N)C(=O)O
InChIInChI=1S/C20H25N3O4/c1-4-20(2,3)18-13(11-22-16(24)10-9-14(21)19(26)27)17(25)12-7-5-6-8-15(12)23-18/h4-8,14H,1,9-11,21H2,2-3H3,(H,22,24)(H,23,25)(H,26,27)/t14-/m0/s1
InChIKeyFUQBTAHOMZQIEP-AWEZNQCLSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (31895573)
ChEBI Ontology
Outgoing Relation(s)
Solitumine B (CHEBI:225567) is a glutamine derivative (CHEBI:70813)
IUPAC Name 
(2S)-2-amino-5-[[2-(2-methylbut-3-en-2-yl)-4-oxo-1H-quinolin-3-yl]methylamino]-5-oxopentanoic acid
Manual XrefsDatabases
81367083ChemSpider