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CHEBI:71393 - adenosine thiamine triphosphate(2−)

ChEBI IDCHEBI:71393
ChEBI Nameadenosine thiamine triphosphate(2−)
Stars
ASCII Nameadenosine thiamine triphosphate(2-)
DefinitionAn organophosphate oxoanion obtained by deprotonation of the triphosphate OH groups of adenosine thiamine triphosphate.
Last Modified21 November 2014
SubmitterEugeni Belda
DownloadsMolfile
FormulaC22H28N9O13P3S
Net Charge-2
Average Mass751.505
Monoisotopic Mass751.07511
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-2/t14-,17-,18-,22-/m1/s1
InChIKeyFGOYXNBJKMNPDH-SAJUPQAESA-L
ChEBI Ontology
Outgoing Relation(s)
adenosine thiamine triphosphate(2−) (CHEBI:71393) is a organophosphate oxoanion (CHEBI:58945)
adenosine thiamine triphosphate(2−) (CHEBI:71393) is conjugate base of adenosine thiamine triphosphate (CHEBI:71394)
Incoming Relation(s)
adenosine thiamine triphosphate (CHEBI:71394) is conjugate acid of adenosine thiamine triphosphate(2−) (CHEBI:71393)
IUPAC Name 
5'-O-{[({[(2-{3-[(4-azaniumyl-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl}ethoxy)phosphinato]oxy}phosphinato)oxy]phosphinato}adenosine
Synonyms  Source
AThTPMetaCyc
ATP-thiamine(2−)ChEBI
thiamine-ATP(2−)ChEBI
UniProt Name  Source
adenosine thiamine triphosphateUniProt
Manual XrefsDatabases
CPD0-1095MetaCyc
Citations