loading...| Preferred Name |
adenosine thiamine triphosphate |
| Synonyms |
ATP-thiamine 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 thiamine-ATP AThTP |
| Definitions |
An adenosine 5'-phosphate obtained by formal condensation of the hydroxy group of thiamine with the triphosphate group of ATP. |
| ID |
http://purl.obolibrary.org/obo/CHEBI_71394 |
| charge |
+1 |
| database_cross_reference |
PMID:21049048 PMID:21734329 PMID:17705845 MetaCyc:CPD0-1095 PMID:20492686 PMID:21697640 PMID:19438713 PMID:17334376 |
| definition |
An adenosine 5'-phosphate obtained by formal condensation of the hydroxy group of thiamine with the triphosphate group of ATP. |
| formula |
C22H31N9O13P3S |
| has functional parent | |
| has_exact_synonym |
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 |
| has_obo_namespace |
chebi_ontology |
| has_related_synonym |
ATP-thiamine thiamine-ATP AThTP |
| id |
CHEBI:71394 |
| in_subset | |
| 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 |
| is conjugate acid of | |
| label |
adenosine thiamine triphosphate |
| mass |
754.52000 |
| monoisotopicmass |
754.09694 |
| notation |
CHEBI:71394 |
| prefLabel |
adenosine thiamine triphosphate |
| 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 |
| treeView | |
| subClassOf |
| Delete | Mapping To | Ontology | Source |
|---|---|---|---|
| http://purl.bioontology.org/ontology/MESH/C519454 | Medical Subject Headings / 医学主题词表 | LOOM |