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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:48582 - ADP-α-
D
-ribose 1'',2''-cyclic phosphate
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ChEBI Ontology
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ChEBI Name
ADP-α-
D
-ribose 1'',2''-cyclic phosphate
ChEBI ID
CHEBI:48582
ChEBI ASCII Name
ADP-alpha-D-ribose 1'',2''-cyclic phosphate
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C15H22N5O16P3
Net Charge
0
Average Mass
621.28056
Monoisotopic Mass
621.02744
InChI
InChI=1S/C15H22N5O16P3/c16-
12-
7-
13(18-
3-
17-
12)
20(4-
19-
7)
14-
10(23)
8(21)
5(32-
14)
1-
30-
37(24,25)
36-
38(26,27)
31-
2-
6-
9(22)
11-
15(33-
6)
35-
39(28,29)
34-
11/h3-
6,8-
11,14-
15,21-
23H,1-
2H2,(H,24,25)
(H,26,27)
(H,28,29)
(H2,16,17,18)
/t5-
,6-
,8-
,9-
,10-
,11-
,14-
,15-
/m1/s1
InChIKey
NPSPRYXPOGPCPM-KEOHHSTQSA-N
SMILES
Nc1ncnc2n(cnc12)
[C@@H]
1O[C@H]
(COP(O)
(=O)
OP(O)
(=O)
OC[C@H]
2O[C@@H]
3OP(O)
(=O)
O[C@@H]
3[C@@H]
2O)
[C@@H]
(O)
[C@H]
1O
ChEBI Ontology
Outgoing
ADP-α-
D
-ribose 1'',2''-cyclic phosphate (
CHEBI:48582
)
has functional parent
ADP-α-
D
-ribose (
CHEBI:191408
)
ADP-α-
D
-ribose 1'',2''-cyclic phosphate (
CHEBI:48582
)
is a
ribose monophosphate (
CHEBI:35159
)
ADP-α-
D
-ribose 1'',2''-cyclic phosphate (
CHEBI:48582
)
is conjugate acid of
ADP-α-
D
-ribose 1'',2''-cyclic phosphate(3−) (
CHEBI:76596
)
Incoming
ADP-α-
D
-ribose 1'',2''-cyclic phosphate(3−) (
CHEBI:76596
)
is conjugate base of
ADP-α-
D
-ribose 1'',2''-cyclic phosphate (
CHEBI:48582
)
IUPAC Name
adenosine 5'-
[3-
(1,2-
O
-
phospho-
α-
D
-
ribofuranos-
5-
O
-
yl) dihydrogen diphosphate]
Synonyms
Sources
ADP-ribose 1'',2''-cyclic phosphate
ChEBI
ADP-ribose 1''-2'' cyclic phosphate
ChEBI
Appr>p
ChEBI
Registry Number
Type
Source
7562061
Beilstein Registry Number
Beilstein
Citation
Type
Source
7929175
PubMed citation
Europe PMC
Last Modified
19 May 2022