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3-Methyl-[13C]-glutaconic acid-2,4-[13C2]

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General Information
Catalog: BLP-005731
Molecular Formula: [13C]3C3H8O4
Molecular Weight: 147.10

Chemical Structure

Description	3-Methyl-[13C]-glutaconic acid-2,4-[13C2] is an isotope analogue of 3-Methylglutaconic acid. 3-Methylglutaconic acid is a glutarate which builds up in the urine in 3-methylglutaconic aciduria.
Synonyms	3-Methyl-13C-2-pentenedioic acid-2,4-13C2
IUPAC Name	(E)-3-(1-13C)methyl(2,4-13C2)pent-2-enedioic acid
Related CAS	5746-90-7 (unlabelled)
Canonical SMILES	CC(=CC(=O)O)CC(=O)O
InChI	InChI=1S/C6H8O4/c1-4(2-5(7)8)3-6(9)10/h2H,3H2,1H3,(H,7,8)(H,9,10)/b4-2+/i1+1,2+1,3+1
InChI Key	WKRBKYFIJPGYQC-UDKQHVDBSA-N
Purity	98% by CP; 99% atom 13C
Appearance	White to Light Beige Solid