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> Main
CHEBI:27782 - 3'-dehydro-ATP
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ChEBI Ontology
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ChEBI Name
3'-dehydro-ATP
ChEBI ID
CHEBI:27782
Definition
A ribonucleotide that is the 3'-dehydro derivative of adenosine 5'-triphosphate.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:1350, CHEBI:19853
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Formula
C10H14N5O13P3
Net Charge
0
Average Mass
505.16510
Monoisotopic Mass
504.98010
InChI
InChI=1S/C10H14N5O13P3/c11-
8-
5-
9(13-
2-
12-
8)
15(3-
14-
5)
10-
7(17)
6(16)
4(26-
10)
1-
25-
30(21,22)
28-
31(23,24)
27-
29(18,19)
20/h2-
4,7,10,17H,1H2,(H,21,22)
(H,23,24)
(H2,11,12,13)
(H2,18,19,20)
/t4-
,7-
,10-
/m1/s1
InChIKey
DWVQEFBZTUVQKH-XMRAEQSQSA-N
SMILES
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C(=O)[C@H]1O
ChEBI Ontology
Outgoing
3'-dehydro-ATP (
CHEBI:27782
)
has functional parent
ATP (
CHEBI:15422
)
3'-dehydro-ATP (
CHEBI:27782
)
is a
ribonucleotide (
CHEBI:26561
)
3'-dehydro-ATP (
CHEBI:27782
)
is a
secondary α-hydroxy ketone (
CHEBI:2468
)
IUPAC Name
9-
[5-
O
-
(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-
β-
D
-
erythro-
pentofuranosyl-
3-
ulose]-
9
H
-
purin-
6-
amine
Synonyms
Sources
3'-dehydro-adenosine 5'-triphosphate
ChEBI
3'-Keto-3'-deoxy-ATP
KEGG COMPOUND
3'-keto-ATP
ChEBI
Manual Xref
Database
C07024
KEGG COMPOUND
View more database links
Last Modified
06 February 2018