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2-Aminoethylphosphonic acid
SpectraBase Compound ID LJABmaNqHmd
InChI InChI=1S/C2H8NO3P/c3-1-2-7(4,5)6/h1-3H2,(H2,4,5,6)
InChIKey QQVDJLLNRSOCEL-UHFFFAOYSA-N
Mol Weight 125.06 g/mol
Molecular Formula C2H8NO3P
Exact Mass 125.02418 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AHDJqtZEsHI
Name 2-Aminoethylphosphonic acid
Acquisition Mode SIMULTANEOUS
CAS Registry Number 2041-14-7
ChEBI ID 15573
Comments 100 mM 2-aminoethylphosphonic 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 C2 H8 N O3 P
IUPAC Name 2-aminoethylphosphonic acid
InChI InChI=1S/C2H8NO3P/c3-1-2-7(4,5)6/h1-3H2,(H2,4,5,6)
InChIKey QQVDJLLNRSOCEL-UHFFFAOYSA-N
KEGG Compound ID C03557
KEGG Pathways PATH: ko00440 Aminophosphonate metabolism PATH: ko02010 ABC transporters - General
PubChem Compound ID 339
SMILES C(CP(=O)(O)O)N
Source File Reference bmse000309