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CHEBI:15955 - discadenine

ChEBI IDCHEBI:15955
ChEBI Namediscadenine
Stars
DefinitionA 6-isopentenylaminopurine having a 3-amino-3-carboxypropyl group attached at the 3-position.
Secondary ChEBI IDsCHEBI:4655, CHEBI:14183, CHEBI:23845
Last Modified26 March 2015
DownloadsMolfile
FormulaC14H20N6O2
Net Charge0
Average Mass304.354
Monoisotopic Mass304.16477
SMILESCC(C)=CCNc1ncn(CC[C@H](N)C(=O)O)c2ncnc1-2
InChIInChI=1S/C14H20N6O2/c1-9(2)3-5-16-12-11-13(18-7-17-11)20(8-19-12)6-4-10(15)14(21)22/h3,7-8,10,16H,4-6,15H2,1-2H3,(H,21,22)/t10-/m0/s1
InChIKeyKGVAAXZLUAKZEO-JTQLQIEISA-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).
ChEBI Ontology
Outgoing Relation(s)
discadenine (CHEBI:15955) has functional parent butyric acid (CHEBI:30772)
discadenine (CHEBI:15955) is a 6-isopentenylaminopurine (CHEBI:38643)
discadenine (CHEBI:15955) is a non-proteinogenic L-α-amino acid (CHEBI:83822)
discadenine (CHEBI:15955) is conjugate acid of discadenine(1−) (CHEBI:62934)
discadenine (CHEBI:15955) is tautomer of discadenine zwitterion (CHEBI:57585)
Incoming Relation(s)
discadenine(1−) (CHEBI:62934) is conjugate base of discadenine (CHEBI:15955)
discadenine zwitterion (CHEBI:57585) is tautomer of discadenine (CHEBI:15955)
IUPAC Name 
(2S)-2-amino-4-{6-[(3-methylbut-2-en-1-yl)amino]-3H-purin-3-yl}butanoic acid
Synonyms  Source
DiscadenineKEGG COMPOUND
3-(3-amino-3-carboxypropyl)-N6-(delta2)-isopentenyladenineChEBI
alpha-amino-6-((3-methyl-2-butenyl)amino)-3H-purine-3-butanoic acidChEBI
3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenineKEGG COMPOUND
Manual XrefsDatabases
C01804KEGG COMPOUND
Registry NumbersSources
CAS:69832-12-8KEGG COMPOUND
Citations