Dataset
![molecular Image]()
D-Glu
Chemical Info
| InChI | InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1 |
|---|---|
| SMILES | OC(=O)CC[C@@H](N)C(O)=O |
| InChI Key | WHUUTDBJXJRKMK-GSVOUGTGSA-N |
| Molecular Formula | C5H9NO4 |
| Exact Mass | 147.053 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by-nc-sa/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Keio_Univ-KO000822 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T17:26:01.290478 |
| MetadataModified | 2025-02-09T14:30:09.680151 |
| MetadataPublished | 2016-01-19 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| C00217 | KEGG Ligand |
| CHEMBL76232 | ChEMBL |
| FGA | PDBe |
| DGL | PDBe |
| 139054390 | PubChem |
| 15966 | ChEBI |
| DTXSID1048675 | EPA CompTox Dashboard |
| 26431 | BindingDB |
| QEJGAQ | CCDC |
| DB02517 | DrugBank |
| HY-100805 | MedChemExpress |
| D-GLUTAMIC ACID | rxnorm |
| CB71074902 | ChemicalBook |
| 4708 | Guide to Pharmacology |
| J9.214B | Nikkaji |
| SCHEMBL43222 | SureChEMBL |
| 344 | Brenda |
| MTBLC15966 | Metabolights |
| 20219 | Brenda |
| ZINC000000895124 | ZINC |
| HMDB0003339 | Human Metabolome Database |
| CB6195447 | ChemicalBook |
| 1178 | Brenda |
| 15146797 | PubChem: Thomson Pharma |
| Q479989WEA | FDA SRS |
| PD007903 | ProbesDrugs |
| 60023383 | NMRShiftDB |
| 23327 | PubChem |
| 514405 | eMolecules |
| The data in this table is sourced from UniChem at EBI. | |