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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:72457 - 2-fluoroadenine
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ChEBI Name
2-fluoroadenine
ChEBI ID
CHEBI:72457
Definition
An organofluorine compound that is adenine in which the hydrogen at position 2 (the carbon between the two nitrogens of the pyrimidine ring) is replaced by a fluorine.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C5H4FN5
Net Charge
0
Average Mass
153.11720
Monoisotopic Mass
153.04507
InChI
InChI=1S/C5H4FN5/c6-5-10-3(7)2-4(11-5)9-1-8-2/h1H,(H3,7,8,9,10,11)
InChIKey
WKMPTBDYDNUJLF-UHFFFAOYSA-N
SMILES
Nc1nc(F)nc2nc[nH]c12
Roles Classification
Application
(s):
antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
2-fluoroadenine (
CHEBI:72457
)
has role
antineoplastic agent (
CHEBI:35610
)
2-fluoroadenine (
CHEBI:72457
)
is a
organofluorine compound (
CHEBI:37143
)
2-fluoroadenine (
CHEBI:72457
)
is a
purines (
CHEBI:26401
)
Incoming
fludarabine phosphate (
CHEBI:63599
)
has functional parent
2-fluoroadenine (
CHEBI:72457
)
IUPAC Name
2-fluoro-7
H
-purin-6-amine
Synonyms
Sources
2-Fad
ChemIDplus
2-fluoro-1
H
-purin-6-amine
ChemIDplus
2-fluoro-6-aminopurine
ChemIDplus
2-fluoro-7(9)
H
-purin-6-ylamine
ChEBI
BRN 0610958
ChemIDplus
F-Ade
ChEBI
NSC 27364
ChemIDplus
SRI 774
ChemIDplus
Manual Xrefs
Databases
A2F
PDBeChem
EP2070931
Patent
View more database links
Registry Numbers
Types
Sources
11305663
Reaxys Registry Number
Reaxys
700-49-2
CAS Registry Number
ChemIDplus
Citations
Types
Sources
19388075
PubMed citation
Europe PMC
3307790
PubMed citation
Europe PMC
9634004
PubMed citation
Europe PMC
Last Modified
14 February 2013