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CHEBI:214646 - Citrinamide B

ChEBI IDCHEBI:214646
ChEBI NameCitrinamide B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H35N3O8
Net Charge0
Average Mass505.568
Monoisotopic Mass505.24242
SMILESC=CC(C)(C)C(=O)Nc1ccccc1C(=O)CCNC(=O)CCC(NC(C)=O)C(=O)OCC(O)CO
InChIInChI=1S/C25H35N3O8/c1-5-25(3,4)24(35)28-19-9-7-6-8-18(19)21(32)12-13-26-22(33)11-10-20(27-16(2)30)23(34)36-15-17(31)14-29/h5-9,17,20,29,31H,1,10-15H2,2-4H3,(H,26,33)(H,27,30)(H,28,35)
InChIKeyOWDHSJUQOMMLKH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (19160522)
ChEBI Ontology
Outgoing Relation(s)
Citrinamide B (CHEBI:214646) is a glutamine derivative (CHEBI:70813)
IUPAC Name 
2,3-dihydroxypropyl 2-acetamido-5-[[3-[2-(2,2-dimethylbut-3-enoylamino)phenyl]-3-oxopropyl]amino]-5-oxopentanoate
Manual XrefsDatabases
28285745ChemSpider