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Biological Magnetic Resonance Data BankA Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules |
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(5-L-Glutamyl)-L-glutamate; 2-methylpentanedioic acid; alpha-Methylglutaric acid; 2-Methylglutaric acid; Pentanedioic acid, 2-methyl-
Molecular Formula: C6 H10 O4
Natural Isotopic Abundance Mass: 146.1412
Mono-Isotopic Molecular Masses:
InChI String: InChI=1S/C6H10O4/c1-4(6(9)10)2-3-5(7)8/h4H,2-3H2,1H3,(H,7,8)(H,9,10)/t4-/m1/s1
canonical and isomeric SMILES: CC(CCC(=O)O)C(=O)O
PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
2-methylpentanedioic acid
PUBCHEM iupac TRADITIONAL NAME
2-methylglutaric acid
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
Atom numbering calculated using ALATIS. Citation: Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773