| Stereochemistry | RACEMIC |
| Molecular Formula | C6H13NO2 |
| Molecular Weight | 131.1729 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC[C@@H](C)[C@H](N)C(O)=O
InChI
InChIKey=AGPKZVBTJJNPAG-UHNVWZDZSA-N
InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5+/m1/s1
| Molecular Formula | C6H13NO2 |
| Molecular Weight | 131.1729 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
L-alloisoleucine (2S, 3R), a diastereomer of L-isoleucine (2S, 3S), is a normal constituent of human plasma. It was shown, that the plasma L-alloisoleucine above the cutoff value of 5 micromol/L is the most specific and most sensitive diagnostic marker for all forms of maple syrup urine disease (MSUD). The precise mechanism of L-alloisoleucine formation is unclear, but existed suggestions, that R-3-methyl-2-oxopentanoate is an immediate and inevitable byproduct of L-isoleucine transamination and that alloisoleucine is primarily formed via transamination of 3-methyl-2-oxopenanoate in vivo.