CHEBI:15877 - L-lupinate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name L-lupinate
ChEBI ID CHEBI:15877
ChEBI ASCII Name L-lupinate
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:14535, CHEBI:25082
Supplier Information
Download Molfile XML SDF
Formula C13H17N6O3
Net Charge -1
Average Mass 305.31272
Monoisotopic Mass 305.13676
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)/p-1/b8-2+/t9-/m0/s1
InChIKey LJJHXRRUVASJDX-WWQRDVDESA-M
SMILES C\C(CO)=C/CNc1ncnc2n(C[C@H](N)C([O-])=O)cnc12
ChEBI Ontology
Outgoing L-lupinate (CHEBI:15877) is a L-α-amino acid anion (CHEBI:59814)
L-lupinate (CHEBI:15877) is conjugate base of L-lupinic acid (CHEBI:6572)
L-lupinate (CHEBI:15877) is conjugate base of L-lupinic acid zwitterion (CHEBI:58927)
Incoming L-lupinic acid (CHEBI:6572) is conjugate acid of L-lupinate (CHEBI:15877)
L-lupinic acid zwitterion (CHEBI:58927) is conjugate acid of L-lupinate (CHEBI:15877)
IUPAC Name
3-{6-[(2E)-4-hydroxy-3-methylbut-2-en-1-ylamino]-9H-purin-9-yl}-L-alaninate
Synonyms Sources
(S)-2-amino-3-{[(E)-4-hydroxy-3-methylbut-2-enylamino]purin-9-yl}propanoate ChEBI
3-[N6-(4-hydroxyisopentenyl)adeninyl]-L-alaninate ChEBI
Manual Xref Database
C01513 KEGG COMPOUND
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Last Modified
15 January 2019