CHEBI:6572 - L-lupinic acid

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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 ZINC000004623685
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
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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