CHEBI:71394 - adenosine thiamine triphosphate

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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.
Supplier Information
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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
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Citations Waiting for 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