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ChEBI
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CHEBI:58863 - futalosinate
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ChEBI Name
futalosinate
ChEBI ID
CHEBI:58863
Definition
A 5-oxo monocarboxylic acid anion that is the conjugate base of futalosine.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C19H17N4O7
Net Charge
-1
Average Mass
413.36090
Monoisotopic Mass
413.11027
InChI
InChI=1S/C19H18N4O7/c24-
11(9-
2-
1-
3-
10(6-
9)
19(28)
29)
4-
5-
12-
14(25)
15(26)
18(30-
12)
23-
8-
22-
13-
16(23)
20-
7-
21-
17(13)
27/h1-
3,6-
8,12,14-
15,18,25-
26H,4-
5H2,(H,28,29)
(H,20,21,27)
/p-
1/t12-
,14-
,15-
,18-
/m1/s1
InChIKey
VEDWXCWBMDQNCV-SCFUHWHPSA-M
SMILES
O[C@@H]1[C@@H](CCC(=O)c2cccc(c2)C([O-])=O)O[C@H]([C@@H]1O)n1cnc2c1nc[nH]c2=O
ChEBI Ontology
Outgoing
futalosinate (
CHEBI:58863
)
is a
5-oxo monocarboxylic acid anion (
CHEBI:35975
)
futalosinate (
CHEBI:58863
)
is conjugate base of
futalosine (
CHEBI:51310
)
Incoming
cyclic dehypoxanthinylfutalosinate(1−) (
CHEBI:64270
)
has functional parent
futalosinate (
CHEBI:58863
)
futalosine (
CHEBI:51310
)
is conjugate acid of
futalosinate (
CHEBI:58863
)
IUPAC Name
3-
{3-
[(2
R
,3
S
,4
R
,5
R
)-
3,4-
dihydroxy-
5-
(6-
oxo-
1,6-
dihydro-
9
H
-
purin-
9-
yl)tetrahydrofuran-
2-
yl]propanoyl}benzoate
Synonym
Source
futalosine
UniProt
Last Modified
06 June 2012