Dataset
![molecular Image]()
Liothyronine
Chemical Info
| InChI | InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1 |
|---|---|
| SMILES | N[C@@H](CC1=CC(I)=C(OC2=CC=C(O)C(I)=C2)C(I)=C1)C(O)=O |
| InChI Key | AUYYCJSJGJYCDS-LBPRGKRZSA-N |
| Molecular Formula | C15H12I3NO4 |
| Exact Mass | 650.790 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_N105606_EF88 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T09:36:02.082809 |
| MetadataModified | 2025-02-08T18:46:59.862652 |
| MetadataPublished | 2022-04-07 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 7048703 | PubChem |
| 5920 | PubChem |
| 14936961 | PubChem: Thomson Pharma |
| 60020610 | NMRShiftDB |
| PD010128 | ProbesDrugs |
| triiodothyronine | Atlas |
| 06LU7C9H1V | FDA SRS |
| LSM-3991 | LINCS |
| triodthy | Recon |
| 6893-02-3 | ACToR |
| 20196-64-9 | ACToR |
| 57164-27-9 | ACToR |
| SCHEMBL8300 | SureChEMBL |
| 14964754 | PubChem: Thomson Pharma |
| 521934 | eMolecules |
| ZINC000003830999 | ZINC |
| CB8221269 | ChemicalBook |
| 533015 | Rhea |
| HMDB0000265 | Human Metabolome Database |
| 9030 | Brenda |
| 62262 | Brenda |
| 12575 | Brenda |
| 144156 | Brenda |
| 132769 | Brenda |
| 2069 | Brenda |
| 5480 | Brenda |
| 24561 | Brenda |
| 5223 | Brenda |
| 66993 | Brenda |
| MTBLC533015 | Metabolights |
| PA164778866 | PharmGKB |
| 10918 | Brenda |
| MTBLC18258 | Metabolights |
| DB00279 | DrugBank |
| 2634 | Guide to Pharmacology |
| C02465 | KEGG Ligand |
| CHEMBL1544 | ChEMBL |
| 18258 | ChEBI |
| 533015 | ChEBI |
| T3 | PDBe |
| LIOTHYRONINE | DailyMed |
| 18860 | BindingDB |
| CYTOMEL | rxnorm |
| LIOTHYRONINE | rxnorm |
| LIOTHYRONINE SODIUM | rxnorm |
| LIOTHYRONINE | clinicaltrials |
| LIOTHYRONINE I 131 | clinicaltrials |
| LIOTHYRONINE SODIUM | clinicaltrials |
| TRIOSTAT | clinicaltrials |
| CYTOMEL | clinicaltrials |
| HY-A0070A | MedChemExpress |
| DTXSID8023216 | EPA CompTox Dashboard |
| 1585 | DrugCentral |
| J85.948F | Nikkaji |
| TITHYN | CCDC |
| TRIOSTAT | rxnorm |
| 101783 | Brenda |
| 220663 | Brenda |
| The data in this table is sourced from UniChem at EBI. | |