EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:30886 - D-lupinic acid

ChEBI IDCHEBI:30886
ChEBI NameD-lupinic acid
Stars
ASCII NameD-lupinic acid
Last Modified28 July 2014
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC13H18N6O3
Net Charge0
Average Mass306.326
Monoisotopic Mass306.14404
SMILESC/C(=C\CNc1ncnc2c1ncn2C[C@@H](N)C(=O)O)CO
InChIInChI=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
InChIKeyLJJHXRRUVASJDX-YPNJUMGQSA-N
ChEBI Ontology
Outgoing Relation(s)
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  Source
Lupinic acidKEGG COMPOUND
(S)-2-Amino-3-{[(E)-4-hydroxy-3-methylbut-2-enylamino]purin-9-yl}propanoic acidKEGG COMPOUND
3-[N6-(4-Hydroxyisopentenyl)adeninyl]-L-alanineKEGG COMPOUND
Manual XrefsDatabases
C01513KEGG COMPOUND
Registry NumbersSources
Beilstein:3596363Beilstein
CAS:67392-79-4KEGG COMPOUND