L-Alloisoleucine
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L-Alloisoleucine
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CAS No:
1509-34-8
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Formula:
C6H13NO2
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Chemical Name:
L-Alloisoleucine
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Synonyms:
L-Alloisoleucine;Alloisoleucine,L-;Alloisoleucine;L-allo-Isoleucine;Pentanoic acid,2-amino-3-methyl-,[S-(R*,S*)]-;(3R)-LS-Isoleucine;L-Norvaline,3-methyl-,threo-;L-Isoleucine,allo-;L-Isoleucine,threo-;Allo-L-Isoleucine;L(+)-Alloisoleucine;[S-(R*,S*)]-2-Amino-3-methylpentanoic acid;allo-Isoleucine;NSC 206282;(2S,3R)-2-Amino-3-methylpentanoic acid;26524-12-9;1013313-53-5
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CAS No:
Description
White to off-white powder
Solid
L-alloisoleucine is an optically active form of alloisoleucine having L-(2S,3R)-configuration. It has a role as a human metabolite. It is a non-proteinogenic L-alpha-amino acid and an alloisoleucine. It is an enantiomer of a D-alloisoleucine. It is a tautomer of a L-alloisoleucine zwitterion.|Alloisoleucine is the optically active form of the amino acid alloisoleucine with an L-(2S,3R)-configuration, derived from endogenous L-isoleucine, that is an intermediate in the metabolism of branched-chain amino acids. Detection of alloisoleucine in plasma is diagnostic for maple-syrup urine disease (MSUD).|An essential branched-chain aliphatic amino acid found in many proteins. It is an isomer of LEUCINE. It is important in hemoglobin synthesis and regulation of blood sugar and energy levels.
Characteristics
63.3
-1.70
White Powder
1.2930 (estimate)
278 °C (decomp)
225.8±23.0 °C(Predicted)
90.3±22.6 °C
1.4630 (estimate)
34.4 mg/mL at 25 °C
Store at RT.
134.45 Ų [M-H]- [CCS Type: DT, Method: stepped-field]|133.4 Ų [M-H]-
Computed Properties
Molecular Weight:131.17
XLogP3:-1.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:131.094628657
Monoisotopic Mass:131.094628657
Topological Polar Surface Area:63.3
Heavy Atom Count:9
Complexity:103
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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