1-Methyl-L-histidine
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1-Methyl-L-histidine
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CAS No:
332-80-9
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Formula:
C7H11N3O2
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Chemical Name:
1-Methyl-L-histidine
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Synonyms:
L-Histidine,1-methyl-;Histidine,1-methyl-,L-;1-Methyl-L-histidine;1-Methylhistidine;1-N-Methyl-L-histidine;N1-Methyl-L-histidine;NSC 524367;(S)-2-Amino-3-(1-methyl-1H-imidazol-4-yl)propanoic acid;τ-Methylhistidine;π-N-Methyl-L-histidine;(2S)-2-Amino-3-(1-methyl-1H-imidazol-4-yl)propanoic acid
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CAS No:
Description
1-Methyl-L-histidine is an objective indicator of meat ingestion and exogenous 3-methylhistidine (3MH) intake.
Solid
N(tele)-methyl-L-histidine is a L-histidine derivative in which the methyl group is at N(tele)-position. It has a role as a human metabolite. It is a L-histidine derivative and a non-proteinogenic L-alpha-amino acid.|1-Methylhistidine is a histidine derivative that has a methyl group bound to the nitrogen at position 1 and results from the metabolism of the dipeptide anserine. Urinary levels of 1-methylhistidine may be indicative of myofibrillar protein degradation or a high protein diet.
1-Methyl-L-histidine Basic Attributes
169.18
169.18
206-368-0
583O01BJ32
DTXSID50186848
C118886
2933290090
Characteristics
81.1
-1.31
Solid
1.4±0.1 g/cm3
269-270 °C
415.0±35.0 °C at 760 mmHg
204.8±25.9 °C
1.613
200 g/kg
-24 º (c=2% in H2O)
133.1 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|139.64 Ų [M-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|129 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine]|133.4 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|138.4 Ų [M+Na]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|133.6 Ų [M+H]+
1-Methyl-L-histidine Use and Manufacturing
The urinary 1- and 3-methylhistidine (1- and 3-MH) metabolites as potential biomarkers of skeletal muscle toxicity. These metabolites were highly correlated to sex-, dose-, and time-dependent development of cerivastatin-induced myotoxicity. Natural but non-proteinogenic amino acid; employed as index of muscle protein breakdown.
Computed Properties
Molecular Weight:169.18
XLogP3:-3.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:169.085126602
Monoisotopic Mass:169.085126602
Topological Polar Surface Area:81.1
Heavy Atom Count:12
Complexity:174
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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