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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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Mono-methyl Glutarate
Mono_methyl_glutarate synonyms
Glutaric acid, monomethyl ester; Pentanedioic acid, monomethyl ester; Glutaric acid methyl half ester; Methyl hydrogen glutarate; Methyl glutarate; PENTANEDIOIC ACID, MONOMETHYL ESTER; 4-Methoxycarbonylbutanoic acid; Monomethyl glutarate; 4-(Methoxycarbonyl)butyric acid; Methyl glutarate (VAN); mono-Methyl glutarate
Graphical representations:
View large 3D structure
Molecular Formula: C6H10O4
Natural Isotopic Abundance Mass: 146.1412
Mono-Isotopic Molecular Masses:
- C12N14: 146.0579088094
- C13N14: 152.0780378362
- C12N15: 146.0579088094
- C13N15: 152.0780378362
InChI string: InChI=1S/C6H10O4/c1-10-6(9)4-2-3-5(7)8/h2-4H2,1H3,(H,7,8)
PubChem Compound (CID): 73917CAS Registry number: 1501-27-5
Sigma-Aldrich: M47353_ALDRICH
ChemIDplus: 001501275
EINECS: 216-116-1
NIAID: 017707
NCGC: NCGC00097090-01
DTP/NCI: 93807
NIST: 2451393047
MMCD: cq_10820
MDL: MFCD00004409
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
InChI string and atom numbering calculated using ALATIS (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)