CHEBI:71393 - adenosine thiamine triphosphate(2−)

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ChEBI Name adenosine thiamine triphosphate(2−) ChEBI ID CHEBI:71393 ChEBI ASCII Name adenosine thiamine triphosphate(2-) Definition An organophosphate oxoanion obtained by deprotonation of the triphosphate OH groups of adenosine thiamine triphosphate. Stars This entity has been manually annotated by the ChEBI Team. Submitter Eugeni Belda Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C22H28N9O13P3S Net Charge -2 Average Mass 751.49700 Monoisotopic Mass 751.07511 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-2/t14-,17-,18-,22-/m1/s1 InChIKey FGOYXNBJKMNPDH-SAJUPQAESA-L 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(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 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 Sources adenosine thiamine triphosphate UniProt AThTP MetaCyc ATP-thiamine(2−) ChEBI thiamine-ATP(2−) ChEBI Manual Xref Database CPD0-1095 MetaCyc View more database links Citation Type Source 17334376 PubMed citation SUBMITTER Last Modified 21 November 2014