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ChEBI
> Main
CHEBI:15955 - discadenine
Main
ChEBI Ontology
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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
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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 (Br
o
nsted acid).
(via
organic amino compound
)
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted 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
(2
S
)-2-amino-4-{6-[(3-methylbut-2-en-1-yl)amino]-3
H
-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
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