| SpectraBase Spectrum ID |
DsuGRVlsnir |
| Name |
N(alpha)-Acetyl-DL-Ornithine |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
6205-08-9 |
| ChEBI ID |
16543 |
| Comments |
100 mM N(alpha)-Acetyl-DL-Ornithine - vendor: Sigma Aldrich S776874; Solvent: D2O; Buffers, etc: 50 mM Sodium Phosphate, 500 uM NaAzide; Temperature=298 K, pH=7.4; NMR Reference: 500 uM DSS; Bruker DMX 400MHz
(Data collected by Madison Metabolomics Consortium) |
| Copyright |
Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium |
| Formula |
C7H14N2O3 |
| IUPAC Name |
(2S)-2-acetamido-5-amino-pentanoic acid |
| 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 |
| InChIKey |
JRLGPAXAGHMNOL-LURJTMIESA-N |
| KEGG Compound ID |
C00437 |
| KEGG Pathways |
PATH: map00220 Urea cycle and metabolism of amino groups |
| PubChem Compound ID |
439232 |
| SMILES |
CC(=O)NC(CCCN)C(=O)O |
| Source File Reference |
bmse000195 |
