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> Main
CHEBI:71394 - adenosine thiamine triphosphate
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ChEBI Ontology
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ChEBI Name
adenosine thiamine triphosphate
ChEBI ID
CHEBI:71394
Definition
An adenosine 5'-phosphate obtained by formal condensation of the hydroxy group of thiamine with the triphosphate group of ATP.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C22H31N9O13P3S
Net Charge
+1
Average Mass
754.52000
Monoisotopic Mass
754.09694
InChI
InChI=1S/C22H30N9O13P3S/c1-
11-
15(48-
10-
30(11)
6-
13-
5-
25-
12(2)
29-
19(13)
23)
3-
4-
40-
45(34,35)
43-
47(38,39)
44-
46(36,37)
41-
7-
14-
17(32)
18(33)
22(42-
14)
31-
9-
28-
16-
20(24)
26-
8-
27-
21(16)
31/h5,8-
10,14,17-
18,22,32-
33H,3-
4,6-
7H2,1-
2H3,(H6-
,23,24,25,26,27,29,34,35,36,37,38,39)
/p+1/t14-
,17-
,18-
,22-
/m1/s1
InChIKey
FGOYXNBJKMNPDH-SAJUPQAESA-O
SMILES
Cc1ncc(C[n+]
2csc(CCOP(O)
(=O)
OP(O)
(=O)
OP(O)
(=O)
OC[C@H]
3O[C@H]
([C@H]
(O)
[C@@H]
3O)
n3cnc4c(N)
ncnc34)
c2C)
c(N)
n1
ChEBI Ontology
Outgoing
adenosine thiamine triphosphate (
CHEBI:71394
)
has functional parent
ATP (
CHEBI:15422
)
adenosine thiamine triphosphate (
CHEBI:71394
)
has functional parent
thiamine(1+) (
CHEBI:18385
)
adenosine thiamine triphosphate (
CHEBI:71394
)
is a
adenosine 5'-phosphate (
CHEBI:37096
)
adenosine thiamine triphosphate (
CHEBI:71394
)
is conjugate acid of
adenosine thiamine triphosphate(2−) (
CHEBI:71393
)
Incoming
adenosine thiamine triphosphate(2−) (
CHEBI:71393
)
is conjugate base of
adenosine thiamine triphosphate (
CHEBI:71394
)
IUPAC Name
5'-
O
-
[{[{[(2-
{3-
[(4-
amino-
2-
methylpyrimidin-
5-
yl)methyl]-
4-
methyl-
1,3-
thiazol-
3-
ium-
5-
yl}ethoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine
Synonyms
Sources
AThTP
MetaCyc
ATP-thiamine
ChEBI
thiamine-ATP
ChEBI
Manual Xref
Database
CPD0-1095
MetaCyc
View more database links
Citations
Types
Sources
17334376
PubMed citation
Europe PMC
17705845
PubMed citation
Europe PMC
19438713
PubMed citation
Europe PMC
20492686
PubMed citation
Europe PMC
21049048
PubMed citation
Europe PMC
21697640
PubMed citation
Europe PMC
21734329
PubMed citation
Europe PMC
Last Modified
07 December 2012