CHEBI:6572 - L-lupinic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name L-lupinic acid
ChEBI ID CHEBI:6572
ChEBI ASCII Name L-lupinic acid
Definition The L-enantiomer of lupinic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C13H18N6O3
Net Charge 0
Average Mass 306.32040
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+/t9-/m0/s1
InChIKey LJJHXRRUVASJDX-WWQRDVDESA-N
SMILES C\C(CO)=C/CNc1ncnc2n(C[C@H](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 L-lupinic acid (CHEBI:6572) is a L-alanine derivative (CHEBI:83943)
L-lupinic acid (CHEBI:6572) is a lupinic acid (CHEBI:30885)
L-lupinic acid (CHEBI:6572) is a non-proteinogenic L-α-amino acid (CHEBI:83822)
L-lupinic acid (CHEBI:6572) is conjugate acid of L-lupinate (CHEBI:15877)
L-lupinic acid (CHEBI:6572) is tautomer of L-lupinic acid zwitterion (CHEBI:58927)
Incoming L-lupinate (CHEBI:15877) is conjugate base of L-lupinic acid (CHEBI:6572)
L-lupinic acid zwitterion (CHEBI:58927) is tautomer of L-lupinic acid (CHEBI:6572)
IUPAC Name
3-{6-[(2E)-4-hydroxy-3-methylbut-2-en-1-ylamino]-9H-purin-9-yl}-L-alanine
Synonyms Sources
(S)-2-Amino-3-{[(E)-4-hydroxy-3-methylbut-2-enylamino]purin-9-yl}propanoic acid KEGG COMPOUND
(S)-2-amino-3-{[(E)-4-hydroxy-3-methylbut-2-enylamino]purin-9-yl}propanoic acid IUBMB
3-[N6-(4-Hydroxyisopentenyl)adeninyl]-L-alanine KEGG COMPOUND
3-[N6-(4-hydroxyisopentenyl)adeninyl]-L-alanine IUBMB
Lupinic acid KEGG COMPOUND
Manual Xref Database
C01513 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
3596364 Beilstein Registry Number Beilstein
6236661 Beilstein Registry Number Beilstein
67392-79-4 CAS Registry Number KEGG COMPOUND
Last Modified
01 December 2014