CHEBI:71394 - adenosine thiamine triphosphate

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ChEBI Name adenosine thiamine triphosphate
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
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)
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
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Last Modified
07 December 2012