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CHEBI:6572 - L-lupinic acid
| Formula | C13H18N6O3 |
| Net Charge | 0 |
| Average Mass | 306.326 |
| Monoisotopic Mass | 306.14404 |
| SMILES | C/C(=C\CNc1ncnc2c1ncn2C[C@H](N)C(=O)O)CO |
| 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 |
| 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) |
| 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 Relation(s) |
| 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 | Source |
|---|---|
| (S)-2-amino-3-{[(E)-4-hydroxy-3-methylbut-2-enylamino]purin-9-yl}propanoic acid | IUBMB |
| 3-[N6-(4-hydroxyisopentenyl)adeninyl]-L-alanine | IUBMB |
| Lupinic acid | KEGG COMPOUND |
| 3-[N6-(4-Hydroxyisopentenyl)adeninyl]-L-alanine | KEGG COMPOUND |
| (S)-2-Amino-3-{[(E)-4-hydroxy-3-methylbut-2-enylamino]purin-9-yl}propanoic acid | KEGG COMPOUND |
| Manual Xrefs | Databases |
|---|---|
| C01513 | KEGG COMPOUND |
| Registry Numbers | Sources |
|---|---|
| Beilstein:3596364 | Beilstein |
| Beilstein:6236661 | Beilstein |
| CAS:67392-79-4 | KEGG COMPOUND |