CHEBI:15955 - discadenine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name discadenine
ChEBI ID CHEBI:15955
Definition A 6-isopentenylaminopurine having a 3-amino-3-carboxypropyl group attached at the 3-position.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:4655, CHEBI:14183, CHEBI:23845
Supplier Information
Download Molfile XML SDF
Formula C14H20N6O2
Net Charge 0
Average Mass 304.34760
Monoisotopic Mass 304.16477
InChI InChI=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
InChIKey KGVAAXZLUAKZEO-JTQLQIEISA-N
SMILES CC(C)=CCNc1ncn(CC[C@H](N)C(O)=O)c2ncnc12
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Sources
3-(3-amino-3-carboxypropyl)-N6-(delta2)-isopentenyladenine ChEBI
3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine KEGG COMPOUND
alpha-amino-6-((3-methyl-2-butenyl)amino)-3H-purine-3-butanoic acid ChEBI
Discadenine KEGG COMPOUND
Manual Xref Database
C01804 KEGG COMPOUND
View more database links
Registry Number Type Source
69832-12-8 CAS Registry Number KEGG COMPOUND
Citations Waiting for Citations Types Sources
566219 PubMed citation Europe PMC
6259120 PubMed citation Europe PMC
7363945 PubMed citation Europe PMC
IND81078502 Agricola citation Europe PMC
Last Modified
26 March 2015