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2,6-Diaminoheptanedioic acid
SpectraBase Compound ID AV9Kv51gVtn
InChI InChI=1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)
InChIKey GMKMEZVLHJARHF-UHFFFAOYSA-N
Mol Weight 190.2 g/mol
Molecular Formula C7H14N2O4
Exact Mass 190.095357 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9xEhBIhy5Of
Name DL-alpha,epsilon-Diaminopimelic acid
Acquisition Mode SIMULTANEOUS
CAS Registry Number 17121-19-6; 14289-34-0; 922-54-3
ChEBI ID 23673
Comments 100 mM DL-alpha,epsilon-Diaminopimelic 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 C7 H14 N2 O4
IUPAC Name 2,6-diaminopimelic acid; 2,6-diaminoheptanedioic acid
InChI InChI=1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)
InChIKey GMKMEZVLHJARHF-UHFFFAOYSA-N
PubChem Compound ID 865
SMILES C(CC(C(=O)O)N)CC(C(=O)O)N
Source File Reference bmse000401