CHEBI:30886 - D-lupinic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name D-lupinic acid
ChEBI ID CHEBI:30886
ChEBI ASCII Name D-lupinic acid
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ZINC000013508622
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+/t9-/m1/s1
InChIKey LJJHXRRUVASJDX-YPNJUMGQSA-N
SMILES C\C(CO)=C/CNc1ncnc2n(C[C@@H](N)C(O)=O)cnc12
ChEBI Ontology
Outgoing D-lupinic acid (CHEBI:30886) has functional parent D-alanine (CHEBI:15570)
D-lupinic acid (CHEBI:30886) is a purines (CHEBI:26401)
IUPAC Name
3-{6-[(2E)-4-hydroxy-3-methylbut-2-en-1-ylamino]-9H-purin-9-yl}-D-alanine
Synonyms Sources
(S)-2-Amino-3-{[(E)-4-hydroxy-3-methylbut-2-enylamino]purin-9-yl}propanoic acid KEGG COMPOUND
3-[N6-(4-Hydroxyisopentenyl)adeninyl]-L-alanine KEGG COMPOUND
Lupinic acid KEGG COMPOUND
Manual Xref Database
C01513 KEGG COMPOUND
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Registry Numbers Types Sources
3596363 Beilstein Registry Number Beilstein
67392-79-4 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014