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ChEBI
> Main
CHEBI:48517 - 7
H
-xanthine
Main
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ChEBI Name
7
H
-xanthine
ChEBI ID
CHEBI:48517
ChEBI ASCII Name
7H-xanthine
Definition
An oxopurine in which the purine ring is substituted by oxo groups at positions 2 and 6 and N-7 is protonated.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C5H4N4O2
Net Charge
0
Average Mass
152.11102
Monoisotopic Mass
152.03343
InChI
InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)
InChIKey
LRFVTYWOQMYALW-UHFFFAOYSA-N
SMILES
O=c1[nH]c2nc[nH]c2c(=O)[nH]1
Roles Classification
Biological Role
(s):
fundamental metabolite
Any metabolite produced by all living cells.
(via
xanthine
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
7
H
-xanthine (
CHEBI:48517
)
is a
xanthine (
CHEBI:15318
)
7
H
-xanthine (
CHEBI:48517
)
is tautomer of
9
H
-xanthine (
CHEBI:17712
)
Incoming
1-methyl-7
H
-xanthine (
CHEBI:68444
)
has functional parent
7
H
-xanthine (
CHEBI:48517
)
3-isobutyl-1-methyl-7
H
-xanthine (
CHEBI:34795
)
has functional parent
7
H
-xanthine (
CHEBI:48517
)
7-methylxanthine (
CHEBI:48991
)
has functional parent
7
H
-xanthine (
CHEBI:48517
)
doxofylline (
CHEBI:94714
)
has functional parent
7
H
-xanthine (
CHEBI:48517
)
DPCPX (
CHEBI:73282
)
has functional parent
7
H
-xanthine (
CHEBI:48517
)
linagliptin (
CHEBI:68610
)
has functional parent
7
H
-xanthine (
CHEBI:48517
)
9
H
-xanthine (
CHEBI:17712
)
is tautomer of
7
H
-xanthine (
CHEBI:48517
)
IUPAC Name
3,7-dihydro-1
H
-purine-2,6-dione
Synonym
Source
Xanthine
KEGG COMPOUND
Manual Xrefs
Databases
2153
BPDB
C00019660
KNApSAcK
C00385
KEGG COMPOUND
DB02134
DrugBank
HMDB0000292
HMDB
XAN
PDBeChem
Xanthine
Wikipedia
XANTHINE
MetaCyc
View more database links
Registry Numbers
Types
Sources
142613
Gmelin Registry Number
Gmelin
69-89-6
CAS Registry Number
ChemIDplus
8733
Beilstein Registry Number
Beilstein
8733
Reaxys Registry Number
Reaxys
Citation
Type
Source
22770225
PubMed citation
Europe PMC
Last Modified
19 September 2018