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1-Methyl-L-histidine

1-Methyl-L-histidine structure

1-Methyl-L-histidine 

structure
  • CAS No:

    332-80-9

  • Formula:

    C7H11N3O2

  • Chemical Name:

    1-Methyl-L-histidine

  • 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

  • Categories:

    Biochemical Engineering  >  Amino Acids and Derivatives

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]+

Safety Information

NONH for all modes of transport

3

36/37/38

26-36-24/25-22

Xi

Drug Information

1-methylhistidine

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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