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CHEBI:176451 - Agaridoxin

ChEBI IDCHEBI:176451
ChEBI NameAgaridoxin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H14N2O5
Net Charge0
Average Mass254.242
Monoisotopic Mass254.09027
SMILESNC(=O)CC[C@H](Nc1ccc(O)c(O)c1)C(=O)O
InChIInChI=1S/C11H14N2O5/c12-10(16)4-2-7(11(17)18)13-6-1-3-8(14)9(15)5-6/h1,3,5,7,13-15H,2,4H2,(H2,12,16)(H,17,18)/t7-/m0/s1
InChIKeySGMDQKBASJSDDV-ZETCQYMHSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS2295)
Agaricus campestris (ncbitaxon:56157) - PubMed (944247)
ChEBI Ontology
Outgoing Relation(s)
Agaridoxin (CHEBI:176451) is a glutamine derivative (CHEBI:70813)
IUPAC Names 
(2S)-5-amino-2-(3,4-dihydroxyanilino)-5-oxopentanoic acid
(2S)-2-amino-5-(3,4-dihydroxyanilino)-5-oxopentanoic acid
Manual XrefsDatabases
142968ChemSpider
29365425ChemSpider
Registry NumbersSources
CAS:58298-77-4ChemIDplus