N-Isovalerylglycine
1382
Reference
N-Isovalerylglycine Structure
Systematic / IUPAC Name: 2-(3-Methylbutanoylamino)acetic acid
ID: Reference1382
Other Names:
[(3-Methylbutanoyl)amino]acetic acid;
N-(3-Methylbutanoyl)glycine;
[(3-Methylbutanoyl)amino]acetate;
N-Isopentanoylglycine
Formula: C7H13NO3
Class: Endogenous Metabolites
Spectral Data
N-Isovalerylglycine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Elite |
| No. of Spectral Trees | 1 |
| No. of Spectra | 91 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 12/4/2014 7:43:51 AM |
Identificators
| InChI | InChI=1S/C7H13NO3/c1-5(2)3-6(9)8-4-7(10)11/h5H,3-4H2,1-2H3,(H,8,9)(H,10,11) |
| InChI Key | ZRQXMKMBBMNNQC-UHFFFAOYSA-N |
| Canonical SMILES | CC(C)CC(=O)NCC(=O)O |
| CAS | 23590183 |
| Splash | |
| Other Names |
[(3-Methylbutanoyl)amino]acetic acid; N-(3-Methylbutanoyl)glycine; [(3-Methylbutanoyl)amino]acetate; N-Isopentanoylglycine |
In Other Databases
| ChEBI | CHEBI:70984 |
| ChemSpider | 475516 |
| HMDb | HMDB00678 |
| PubChem | 546304 |