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CHEBI:193940 - Thyroxine glucuronide
| Formula | C21H19I4NO10 |
| Net Charge | 0 |
| Average Mass | 952.996 |
| Monoisotopic Mass | 952.71879 |
| SMILES | N[C@@H](Cc1cc(I)c(Oc2cc(I)c(OC3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)c(I)c2)c(I)c1)C(=O)O |
| InChI | InChI=1S/C21H19I4NO10/c22-8-1-6(3-12(26)19(30)31)2-9(23)16(8)34-7-4-10(24)17(11(25)5-7)35-21-15(29)13(27)14(28)18(36-21)20(32)33/h1-2,4-5,12-15,18,21,27-29H,3,26H2,(H,30,31)(H,32,33)/t12-,13-,14-,15+,18-,21?/m0/s1 |
| InChIKey | RGHRJBIKIYUHEV-SGPDEFQSSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| synthetic microbial community (ncbitaxon:3229850) | Whole Organism (NCIT:C13413) | MetaboLights (MTBLS3129) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Thyroxine glucuronide (CHEBI:193940) is a phenylalanine derivative (CHEBI:25985) |
| IUPAC Name |
|---|
| (2S,3S,4S,5R)-6-[4-[4-[(2S)-2-amino-2-carboxyethyl]-2,6-diiodophenoxy]-2,6-diiodophenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid |
| Manual Xrefs | Databases |
|---|---|
| 134339 | ChemSpider |
| HMDB0010326 | HMDB |
| Registry Numbers | Sources |
|---|---|
| CAS:21462-56-6 | ChemIDplus |