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| IUPAC Name: | methyl 2,2-dimethyl-1,3-dioxolane-4-carboxylate |
| Description: | 2,2-Dimethyl-(1,3) dioxolane-4-carboxylic Acid Methyl Ester is the unlabeled form of 2,2-Dimethyl-(1,3) dioxolane-4-carboxylic Acid Methyl Ester-13C3 (D480092), which is an intermediate for the synthesis of 2,3-DPG-13C3 Sodium Salt (D491993), which is a labeled isotope of 2,3-Diphospho-D-glyceric Acid, a metabolite formed in the metabolomes of normal and sickle cell erythrocytes. |
| Molecular Weight: | 160.17 |
| Molecular Formula: | C7H12O4 |
| Canonical SMILES: | CC1(OCC(O1)C(=O)OC)C |
| InChI: | InChI=1S/C7H12O4/c1-7(2)10-4-5(11-7)6(8)9-3/h5H,4H2,1-3H3 |
| InChI Key: | DOWWCCDWPKGNGX-UHFFFAOYSA-N |
| References: | Kim, P., et al. Mol. Genet. Metab., 76, 100 (2002), Sumner, L., et al. Metabolomics, 3, 211 (2007), Oresic, M., et al. J. Exp. Med., 205, 2975 (2008),. |
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