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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:62910 - ethyl-ATP
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ChEBI Name
ethyl-ATP
ChEBI ID
CHEBI:62910
Definition
An organic triphosphate formed by condensation between the γ-phospho group of adenosine 5'-triphosphate and ethanol.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C12H20N5O13P3
Net Charge
0
Average Mass
535.23420
Monoisotopic Mass
535.02705
InChI
InChI=1S/C12H20N5O13P3/c1-
2-
26-
31(20,21)
29-
33(24,25)
30-
32(22,23)
27-
3-
6-
8(18)
9(19)
12(28-
6)
17-
5-
16-
7-
10(13)
14-
4-
15-
11(7)
17/h4-
6,8-
9,12,18-
19H,2-
3H2,1H3,(H,20,21)
(H,22,23)
(H,24,25)
(H2,13,14,15)
/t6-
,8-
,9-
,12-
/m1/s1
InChIKey
ISCLZDJGLPCZAS-WOUKDFQISA-N
SMILES
CCOP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
ChEBI Ontology
Outgoing
ethyl-ATP (
CHEBI:62910
)
has functional parent
ATP (
CHEBI:15422
)
ethyl-ATP (
CHEBI:62910
)
has functional parent
ethanol (
CHEBI:16236
)
ethyl-ATP (
CHEBI:62910
)
is a
organic triphosphate (
CHEBI:62894
)
IUPAC Name
adenosine 5'-(
P
3
-ethyl trihydrogen triphosphate)
Synonyms
Sources
ethyl adenosine triphosphate
ChEBI
γ-ethyl adenosine triphosphate
ChEBI
γ-monoethyl adenosine triphosphate
ChEBI
monoethyl adenosine-triphosphate
ChEBI
O
5'
-(3-ethoxy-1,2,3-trihydroxy[1]triphosphoryl)adenosine
ChEBI
triphosphoric acid 1-adenosin-5'-yl ester 3-ethyl ester
ChEBI
Manual Xref
Database
US5639653
Patent
View more database links
Registry Number
Type
Source
1200624
Reaxys Registry Number
Reaxys
Citation
Type
Source
7753173
PubMed citation
Europe PMC
Last Modified
15 September 2011