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ChEBI
> Main
CHEBI:191409 - ADP-β-
D
-ribose
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ChEBI Ontology
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ChEBI Name
ADP-β-
D
-ribose
ChEBI ID
CHEBI:191409
ChEBI ASCII Name
ADP-beta-D-ribose
Definition
An ADP-
D
-ribose with α configuration at the anomeric centre.
Stars
This entity has been manually annotated by the ChEBI Team.
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Molfile
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Molfile
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Formula
C15H23N5O14P2
Net Charge
0
Average Mass
559.318
Monoisotopic Mass
559.07167
InChI
InChI=1S/C15H23N5O14P2/c16-
12-
7-
13(18-
3-
17-
12)
20(4-
19-
7)
14-
10(23)
8(21)
5(32-
14)
1-
30-
35(26,27)
34-
36(28,29)
31-
2-
6-
9(22)
11(24)
15(25)
33-
6/h3-
6,8-
11,14-
15,21-
25H,1-
2H2,(H,26,27)
(H,28,29)
(H2,16,17,18)
/t5-
,6-
,8-
,9-
,10-
,11-
,14-
,15-
/m1/s1
InChIKey
SRNWOUGRCWSEMX-KEOHHSTQSA-N
SMILES
NC1=C2N=CN([C@@H]
3O[C@H]
(COP(O)
(=O)
OP(O)
(=O)
OC[C@H]
4O[C@@H]
(O)
[C@H]
(O)
[C@@H]
4O)
[C@@H]
(O)
[C@H]
3O)
C2=NC=N1
Roles Classification
Biological Role
(s):
Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in
Escherichia coli
.
(via
ADP-D-ribose
)
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (
Mus musculus
).
(via
ADP-D-ribose
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
ADP-β-
D
-ribose (
CHEBI:191409
)
is a
ADP-
D
-ribose (
CHEBI:16960
)
Incoming
cyclic ADP-β-
D
-ribose (
CHEBI:31445
)
has functional parent
ADP-β-
D
-ribose (
CHEBI:191409
)
IUPAC Name
adenosine 5'-[3-(β-
D
-ribofuranos-5-
O
-yl) dihydrogen diphosphate]
Synonym
Source
[(2
R
,3
S
,4
R
,5
R
)-
5-
(6-
amino-
9
H
-
purin-
9-
yl)-
3,4-
dihydroxytetrahydrofuran-
2-
yl]methyl [(2
R
,3
S
,4
R
,5
R
)-
3,4,5-
trihydroxytetrahydrofuran-
2-
yl]methyl dihydrogen diphosphate
IUPAC
Manual Xref
Database
APR
PDBeChem
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Last Modified
16 January 2023