| SpectraBase Spectrum ID |
1ytGa6m1VU1 |
| Name |
N-(2-Acetamido)iminodiacetic acid |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
26239-55-4 |
| Comments |
100 mM ADA (N-Carbamoylmethyliminodi(acetic acid) ) - vendor: Acros 228010250; 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 |
C6H10N2O5 |
| IUPAC Name |
2-(aminocarbonylmethyl-(carboxymethyl)amino)ethanoic acid; 2-(carbamoylmethyl-(carboxymethyl)amino)acetic acid |
| InChI |
InChI=1S/C6H10N2O5/c7-4(9)1-8(2-5(10)11)3-6(12)13/h1-3H2,(H2,7,9)(H,10,11)(H,12,13) |
| InChIKey |
QZTKDVCDBIDYMD-UHFFFAOYSA-N |
| PubChem Compound ID |
117765 |
| SMILES |
C(C(=O)N)N(CC(=O)O)CC(=O)O |
| Source File Reference |
bmse000146 |
