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CHEBI:30885 - lupinic acid

ChEBI IDCHEBI:30885
ChEBI Namelupinic acid
Stars
Secondary ChEBI IDCHEBI:25083
Last Modified1 December 2014
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC13H18N6O3
Net Charge0
Average Mass306.326
Monoisotopic Mass306.14404
SMILESC/C(=C\CNc1ncnc2c1ncn2CC(N)C(=O)O)CO
InChIInChI=1S/C13H18N6O3/c1-8(5-20)2-3-15-11-10-12(17-6-16-11)19(7-18-10)4-9(14)13(21)22/h2,6-7,9,20H,3-5,14H2,1H3,(H,21,22)(H,15,16,17)/b8-2+
InChIKeyLJJHXRRUVASJDX-KRXBUXKQSA-N
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).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
lupinic acid (CHEBI:30885) is a alanine derivative (CHEBI:22278)
lupinic acid (CHEBI:30885) is a non-proteinogenic α-amino acid (CHEBI:83925)
lupinic acid (CHEBI:30885) is a purine alkaloid (CHEBI:26385)
Incoming Relation(s)
L-lupinic acid (CHEBI:6572) is a lupinic acid (CHEBI:30885)
IUPAC Name 
3-{6-[(2E)-4-hydroxy-3-methylbut-2-en-1-ylamino]-9H-purin-9-yl}-alanine
Registry NumbersSources
Beilstein:1227755Beilstein