Dataset
![molecular Image]()
N-alpha-Acetyl-L-ornithine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
Chemical Info
| Synonyms |
|---|
| N-Acetylornithine |
| N2-Acetyl-L-ornithine |
| N-alpha-Acetyl-L-ornithine |
| InChI | InChI=1S/C7H14N2O3/c1-5(10)9-6(7(11)12)3-2-4-8/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1 |
|---|---|
| SMILES | NCCCC(NC(C)=O)C(O)=O |
| InChI Key | JRLGPAXAGHMNOL-LURJTMIESA-N |
| Molecular Formula | C7H14N2O3 |
| Exact Mass | 174.100 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-KO002089 |
| Version | |
| Author | |
| Maintainer | |
| Language | english |
| MetadataCreated | 2024-01-11T17:32:03.791885 |
| MetadataModified | 2024-01-22T12:42:39.443158 |
| MetadataPublished | 2016-01-19 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| MolPort-020-004-708 | MolPort |
| J37.495D | Nikkaji |
| SCHEMBL159460 | SureChEMBL |
| HY-113080 | MedChemExpress |
| ZINC000001532657 | ZINC |
| DTXSID80331400 | EPA CompTox Dashboard |
| 11066 | Brenda |
| 164153 | Brenda |
| 20100 | Brenda |
| HMDB0003357 | Human Metabolome Database |
| 57805 | Rhea |
| CB6699031 | ChemicalBook |
| 2570 | Brenda |
| MTBLC16543 | Metabolights |
| MTBLC57805 | Metabolights |
| 4293 | Brenda |
| 173850 | Brenda |
| 12626 | Brenda |
| 113986 | Brenda |
| 13368 | Brenda |
| 51817 | Brenda |
| 439232 | PubChem |
| 2185-16-2 | ACToR |
| acorn | Recon |
| 16947200 | PubChem: Thomson Pharma |
| 6205-08-9 | ACToR |
| PD102023 | ProbesDrugs |
| 6992102 | PubChem |
| 30069639 | eMolecules |
| 60018781 | NMRShiftDB |
| 16543 | ChEBI |
| AOR | PDBe |
| C00437 | KEGG Ligand |
| 57805 | ChEBI |
| The data in this table is sourced from UniChem at EBI. | |