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CHEBI:45698 - 3,3'-diiodo-L-thyronine
| Formula | C15H13I2NO4 |
| Net Charge | 0 |
| Average Mass | 525.080 |
| Monoisotopic Mass | 524.89340 |
| SMILES | N[C@@H](Cc1ccc(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O |
| InChI | InChI=1S/C15H13I2NO4/c16-10-7-9(2-3-13(10)19)22-14-4-1-8(5-11(14)17)6-12(18)15(20)21/h1-5,7,12,19H,6,18H2,(H,20,21)/t12-/m0/s1 |
| InChIKey | CPCJBZABTUOGNM-LBPRGKRZSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | DOI (10.1038/nbt.2488) |
| Roles Classification |
|---|
| Chemical Roles: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3,3'-diiodo-L-thyronine (CHEBI:45698) has role human metabolite (CHEBI:77746) |
| 3,3'-diiodo-L-thyronine (CHEBI:45698) is a 3,3'-diiodothyronine (CHEBI:35430) |
| 3,3'-diiodo-L-thyronine (CHEBI:45698) is tautomer of 3,3'-diiodo-L-thyronine zwitterion (CHEBI:176514) |
| Incoming Relation(s) |
| 3,3'-diiodo-L-thyronine sulfate (CHEBI:35431) has functional parent 3,3'-diiodo-L-thyronine (CHEBI:45698) |
| 3,3'-diiodo-L-thyronine zwitterion (CHEBI:176514) is tautomer of 3,3'-diiodo-L-thyronine (CHEBI:45698) |
| IUPAC Name |
|---|
| 3,3'-diiodo-L-thyronine |
| Synonyms | Source |
|---|---|
| O-(4-hydroxy-3-iodophenyl)-3-iodo-L-tyrosine | IUPAC |
| 3,3'-DEIODO-THYROXINE | PDBeChem |
| (2S)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3-iodophenyl]propanoic acid | ChEBI |