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CHEBI:134399 - ADP-5-ethyl-4-methylthiazole-2-carboxylic acid
| Formula | C17H22N6O12P2S |
| Net Charge | 0 |
| Average Mass | 596.408 |
| Monoisotopic Mass | 596.04916 |
| SMILES | Cc1nc(C(=O)O)sc1CCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O |
| InChI | InChI=1S/C17H22N6O12P2S/c1-7-9(38-15(22-7)17(26)27)2-3-32-36(28,29)35-37(30,31)33-4-8-11(24)12(25)16(34-8)23-6-21-10-13(18)19-5-20-14(10)23/h5-6,8,11-12,16,24-25H,2-4H2,1H3,(H,26,27)(H,28,29)(H,30,31)(H2,18,19,20)/t8-,11-,12-,16-/m1/s1 |
| InChIKey | VGXBGQACJQRWLV-LKGUXBDMSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Saccharomyces cerevisiae (ncbitaxon:4932) | - | PubMed (22031445) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| ADP-5-ethyl-4-methylthiazole-2-carboxylic acid (CHEBI:134399) has functional parent ADP (CHEBI:16761) |
| ADP-5-ethyl-4-methylthiazole-2-carboxylic acid (CHEBI:134399) is a 1,3-thiazolemonocarboxylic acid (CHEBI:48652) |
| ADP-5-ethyl-4-methylthiazole-2-carboxylic acid (CHEBI:134399) is conjugate acid of ADP-5-ethyl-4-methylthiazole-2-carboxylate(3−) (CHEBI:139151) |
| Incoming Relation(s) |
| ADP-5-ethyl-4-methylthiazole-2-carboxylate(3−) (CHEBI:139151) is conjugate base of ADP-5-ethyl-4-methylthiazole-2-carboxylic acid (CHEBI:134399) |
| IUPAC Name |
|---|
| 5'-O-[({[2-(2-carboxy-4-methyl-1,3-thiazol-5-yl)ethoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]adenosine |
| Synonym | Source |
|---|---|
| Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid | KEGG COMPOUND |