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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:76793 - 5-carboxycytosine
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ChEBI Ontology
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ChEBI Name
5-carboxycytosine
ChEBI ID
CHEBI:76793
Definition
A nucleobase analogue that is cytosine in which the hydrogen at position 5 is replaced by a carboxy group.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Bruce May
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Formula
C5H5N3O3
Net Charge
0
Average Mass
155.11150
Monoisotopic Mass
155.03309
InChI
InChI=1S/C5H5N3O3/c6-3-2(4(9)10)1-7-5(11)8-3/h1H,(H,9,10)(H3,6,7,8,11)
InChIKey
BLQMCTXZEMGOJM-UHFFFAOYSA-N
SMILES
Nc1nc(=O)[nH]cc1C(O)=O
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
)
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
5-carboxycytosine (
CHEBI:76793
)
has functional parent
cytosine (
CHEBI:16040
)
5-carboxycytosine (
CHEBI:76793
)
has role
metabolite (
CHEBI:25212
)
5-carboxycytosine (
CHEBI:76793
)
is a
aminopyrimidine (
CHEBI:38338
)
5-carboxycytosine (
CHEBI:76793
)
is a
aromatic carboxylic acid (
CHEBI:33859
)
5-carboxycytosine (
CHEBI:76793
)
is a
nucleobase analogue (
CHEBI:67142
)
5-carboxycytosine (
CHEBI:76793
)
is a
pyrimidone (
CHEBI:38337
)
IUPAC Name
4-amino-2-oxo-1,2-dihydropyrimidine-5-carboxylic acid
Synonyms
Sources
4-amino-2-oxopyrimidine-5-carboxylic acid
ChEBI
5-carboxylcytosine
ChEBI
Cytosine-5-carboxylic acid
ChemIDplus
Registry Numbers
Types
Sources
141857
Reaxys Registry Number
Reaxys
3650-93-9
CAS Registry Number
ChemIDplus
Citations
Types
Sources
21778364
PubMed citation
SUBMITTER
23602152
PubMed citation
SUBMITTER
24063363
PubMed citation
SUBMITTER
Last Modified
16 January 2014