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Pimelic acid
SpectraBase Compound ID GaXASwU6WH0
InChI InChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11)
InChIKey WLJVNTCWHIRURA-UHFFFAOYSA-N
Mol Weight 160.17 g/mol
Molecular Formula C7H12O4
Exact Mass 160.073559 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID G6RvLcloE5j
Name Pimelic acid
Acquisition Mode SIMULTANEOUS
CAS Registry Number 111-16-0
ChEBI ID 30531
Comments 100 mM Pimelic 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 H12 O4
IUPAC Name heptanedioic acid; pimelic acid
InChI InChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11)
InChIKey WLJVNTCWHIRURA-UHFFFAOYSA-N
KEGG Compound ID C02656
KEGG Pathways PATH: ko00780 Biotin metabolism
PubChem Compound ID 385
SMILES C(CCC(=O)O)CCC(=O)O
Source File Reference bmse000354