For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
N-alpha-Acetyl-L-ornithine
SpectraBase Compound ID GLgJ5AURu1E
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
Mol Weight 174.2 g/mol
Molecular Formula C7H14N2O3
Exact Mass 174.100442 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

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