Dataset
![molecular Image]()
Edetic acid (EDTA)
Chemical Info
| InChI | InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20) |
|---|---|
| SMILES | C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O |
| InChI Key | KCXVZYZYPLLWCC-UHFFFAOYSA-N |
| Molecular Formula | C10H16N2O8 |
| Exact Mass | 292.091 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by-sa/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ500505 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T13:38:09.753849 |
| MetadataModified | 2025-02-09T09:58:30.243997 |
| MetadataPublished | 2021-03-16 |
| Related Molecule |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| EDT | PDBe |
| C00284 | KEGG Ligand |
| DB00974 | DrugBank |
| CHEMBL858 | ChEMBL |
| EDETIC ACID | rxnorm |
| EDETATE | rxnorm |
| EDETIC ACID | clinicaltrials |
| 21 | Brenda |
| EDETIC ACID | DailyMed |
| DTXSID6022977 | EPA CompTox Dashboard |
| 987 | DrugCentral |
| J4.406G | Nikkaji |
| EDTAXX | CCDC |
| 50330325 | BindingDB |
| 5232305 | PubChem |
| 9G34HU7RV0 | FDA SRS |
| 2726 | Brenda |
| 50013 | Brenda |
| 32448 | Brenda |
| 47626 | Brenda |
| 155929 | Brenda |
| 10903 | Brenda |
| 47625 | Brenda |
| HMDB0015109 | Human Metabolome Database |
| LSM-45734 | LINCS |
| CB9853940 | ChemicalBook |
| ZINC000019364242 | ZINC |
| PA449439 | PharmGKB |
| SCHEMBL1373 | SureChEMBL |
| 10016980 | NMRShiftDB |
| MCULE-1868494404 | Mcule |
| 6049 | PubChem |
| 14775754 | PubChem: Thomson Pharma |
| 4735 | ChEBI |
| EDTA | Atlas |
| 13440-78-3 | ACToR |
| 60-00-4 | ACToR |
| PD002353 | ProbesDrugs |
| 475504 | eMolecules |
| The data in this table is sourced from UniChem at EBI. | |