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4-Acetamidobutyric acid
SpectraBase Compound ID FJLocLi5gLh
InChI InChI=1S/C6H11NO3/c1-5(8)7-4-2-3-6(9)10/h2-4H2,1H3,(H,7,8)(H,9,10)
InChIKey UZTFMUBKZQVKLK-UHFFFAOYSA-N
Mol Weight 145.16 g/mol
Molecular Formula C6H11NO3
Exact Mass 145.073893 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IvkjAyD5Hjw
Name 4-Acetamidobutyric acid
Acquisition Mode SIMULTANEOUS
CAS Registry Number 3025-96-5
ChEBI ID 17645
Comments 100 mM 4-Acetamidobutyric acid - Sigma-Aldrich; Solvent D2O; Buffer sodium phosphate; Cytocide sodium azide; Reference DSS, pH 7.4, temperature 298 K
Copyright Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved.
Data Source Madison Metabolomics Consortium
Formula C6 H11 N O3
IUPAC Name 4-acetamidobutanoic acid; 4-acetamidobutyric acid
InChI InChI=1S/C6H11NO3/c1-5(8)7-4-2-3-6(9)10/h2-4H2,1H3,(H,7,8)(H,9,10)
InChIKey UZTFMUBKZQVKLK-UHFFFAOYSA-N
KEGG Compound ID C02946
KEGG Pathways PATH: ko00220 Urea cycle and metabolism of amino groups
PubChem Compound ID 18189
SMILES CC(=O)NCCCC(=O)O
Source File Reference bmse000468