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CHEBI:168667 - L-Agaridoxin

ChEBI IDCHEBI:168667
ChEBI NameL-Agaridoxin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H14N2O5
Net Charge0
Average Mass254.242
Monoisotopic Mass254.09027
SMILESNC(CCC(=O)Nc1ccc(O)c(O)c1)C(=O)O
InChIInChI=1S/C11H14N2O5/c12-7(11(17)18)2-4-10(16)13-6-1-3-8(14)9(15)5-6/h1,3,5,7,14-15H,2,4,12H2,(H,13,16)(H,17,18)
InChIKeyHJLNKWYSKFDHDG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
L-Agaridoxin (CHEBI:168667) is a α-amino acid (CHEBI:33704)
IUPAC Name 
2-amino-5-(3,4-dihydroxyanilino)-5-oxopentanoic acid
Manual XrefsDatabases
HMDB0029445HMDB
35032872ChemSpider