CHEBI:30885 - lupinic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name lupinic acid
ChEBI ID CHEBI:30885
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:25083
Supplier Information
Download Molfile XML SDF
Formula C13H18N6O3
Net Charge 0
Average Mass 306.32066
Monoisotopic Mass 306.14404
InChI InChI=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+
InChIKey LJJHXRRUVASJDX-KRXBUXKQSA-N
SMILES C\C(CO)=C/CNc1ncnc2n(CC(N)C(O)=O)cnc12
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Number Type Source
1227755 Beilstein Registry Number Beilstein
Last Modified
01 December 2014