Dataset
![molecular Image]()
N-Acetyl-L-glutamic acid; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
Chemical Info
| Synonyms |
|---|
| N-Acetylglutamate |
| N-Acetyl-L-glutamate |
| N-Acetyl-L-glutamic acid |
| InChI | InChI=1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t5-/m0/s1 |
|---|---|
| SMILES | CC(=O)NC(CCC(O)=O)C(O)=O |
| InChI Key | RFMMMVDNIPUKGG-YFKPBYRVSA-N |
| Molecular Formula | C7H11NO5 |
| Exact Mass | 189.064 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-KO002087 |
| Version | |
| Author | |
| Maintainer | |
| Language | english |
| MetadataCreated | 2024-01-11T17:38:49.609079 |
| MetadataModified | 2024-01-22T12:42:38.562260 |
| MetadataPublished | 2016-01-19 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| DTXSID3046534 | EPA CompTox Dashboard |
| ACETYL GLUTAMIC ACID | rxnorm |
| ZINC000001532704 | ZINC |
| HY-W015240 | MedChemExpress |
| 20096 | Brenda |
| 92180 | Brenda |
| 33014 | Brenda |
| 47376 | Brenda |
| 109769 | Brenda |
| CB6175759 | ChemicalBook |
| 50151383 | BindingDB |
| MTBLC17533 | Metabolights |
| 3480 | Brenda |
| 20782 | Brenda |
| 103258 | Brenda |
| 3794 | Brenda |
| 48784 | Brenda |
| 125564 | Brenda |
| 543 | Brenda |
| 32923 | Brenda |
| 70914 | PubChem |
| MA61H539YZ | FDA SRS |
| PD001625 | ProbesDrugs |
| 16179229 | PubChem: Thomson Pharma |
| J37.497K | Nikkaji |
| TERRUD | CCDC |
| MCULE-7234857249 | Mcule |
| 20112345 | NMRShiftDB |
| MCULE-6828522418 | Mcule |
| HMDB0001138 | Human Metabolome Database |
| SCHEMBL82128 | SureChEMBL |
| NLG | PDBe |
| 17533 | ChEBI |
| CHEMBL1234751 | ChEMBL |
| C00624 | KEGG Ligand |
| DB04075 | DrugBank |
| 474735 | eMolecules |
| The data in this table is sourced from UniChem at EBI. | |