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CHEBI:191700 - L-Agaritine

ChEBI IDCHEBI:191700
ChEBI NameL-Agaritine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H17N3O4
Net Charge0
Average Mass267.285
Monoisotopic Mass267.12191
SMILESNC(CCC(=O)NNc1ccc(CO)cc1)C(=O)O
InChIInChI=1S/C12H17N3O4/c13-10(12(18)19)5-6-11(17)15-14-9-3-1-8(7-16)2-4-9/h1-4,10,14,16H,5-7,13H2,(H,15,17)(H,18,19)
InChIKeySRSPQXBFDCGXIZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
bark (BTO:0001301) MetaboLights (MTBLS4572)
seed (BTO:0001226) MetaboLights (MTBLS4572)
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-Agaritine (CHEBI:191700) is a α-amino acid (CHEBI:33704)
IUPAC Name 
2-amino-5-[2-[4-(hydroxymethyl)phenyl]hydrazinyl]-5-oxopentanoic acid
Manual XrefsDatabases
HMDB0033758HMDB
16720ChemSpider