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CHEBI:71394 - adenosine thiamine triphosphate

ChEBI IDCHEBI:71394
ChEBI Nameadenosine thiamine triphosphate
Stars
DefinitionAn adenosine 5'-phosphate obtained by formal condensation of the hydroxy group of thiamine with the triphosphate group of ATP.
Last Modified7 December 2012
SubmitterSteve
DownloadsMolfile
FormulaC22H31N9O13P3S
Net Charge+1
Average Mass754.529
Monoisotopic Mass754.09694
SMILESCc1ncc(C[n+]2csc(CCOP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)c2C)c(N)n1
InChIInChI=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
InChIKeyFGOYXNBJKMNPDH-SAJUPQAESA-O
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
ATP-thiamineChEBI
AThTPMetaCyc
thiamine-ATPChEBI
Manual XrefsDatabases
CPD0-1095MetaCyc
Citations