ChemicalBook--->CAS DataBase List--->16284-60-9

16284-60-9

16284-60-9 Structure

16284-60-9 Structure
IdentificationBack Directory
[Name]

N-ISOVALEROYLGLYCINE
[CAS]

16284-60-9
[Synonyms]

Isovalerylglycine
Isovaleroylglycine
N-ISOVALERYLGLYCINE
N-ISOVALEROYLGLYCINE
N-Isovalerylglycine-d2
2-(3-Methylbutanamido)
N-ISOVALEROYLGLYCINE 98+%
N-(3-Methylbutyryl)glycine
N-(3-Methyl-1-oxobutyl)glycine
2-(3-MethylbutanaMido)acetic acid
(3-methyl-butyrylamino)-acetic acid
[Molecular Formula]

C7H13NO3
[MDL Number]

MFCD00059629
[MOL File]

16284-60-9.mol
[Molecular Weight]

159.18
Chemical PropertiesBack Directory
[Melting point ]

105°C
[Boiling point ]

371.8±25.0 °C(Predicted)
[density ]

1.097±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

3.58±0.10(Predicted)
[color ]

White to Off-White
[BRN ]

1766622
[InChI]

1S/C7H13NO3/c1-5(2)3-6(9)8-4-7(10)11/h5H,3-4H2,1-2H3,(H,8,9)(H,10,11)
[InChIKey]

ZRQXMKMBBMNNQC-UHFFFAOYSA-N
Hazard InformationBack Directory
[Chemical Properties]

White to Off-White Solid
[Uses]

N-Isovalerylglycine is a useful diagnostic tool in the diagnosis of many organic acidemias and mitochondrial fatty acid β-oxidation defects. N-Isovalerylglycine is found in the urine of patients with isovaleric acidemia, an inborn error of leucine metabolism.
[Definition]

ChEBI: An N-acylglycine in which the acyl group is specified as isovaleryl.
[Description]

Isovaleroylglycine is a compound found in the urine of patients with isovaleric acidemia, a disorder created by defective leucine metabolism due to a deficiency in the isovaleryl coenzyme A dehydrogenase. It has been used as a diagnostic tool in the diagnosis of various acidemias and mitochondrial fatty acid β-oxidation defects.
[References]

[1] K. TANAKA K I. The isolation and identification of N-isovalerylglycine from urine of patients with isovaleric acidemia.[J]. The Journal of Biological Chemistry, 1967, 55 1: 2966-2972. DOI: 10.1016/s0021-9258(18)99599-2
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36
[Safety Statements ]

22-24/25
[WGK Germany ]

WGK 3
[HazardClass ]

IRRITANT
[HS Code ]

2924297099
[Storage Class]

11 - Combustible Solids
Spectrum DetailBack Directory
[Spectrum Detail]

N-ISOVALERYLGLYCINE(16284-60-9)MS
N-ISOVALERYLGLYCINE(16284-60-9)1HNMR
N-ISOVALERYLGLYCINE(16284-60-9)IR1
N-ISOVALERYLGLYCINE(16284-60-9)IR2
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