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2-Methylcitric acid

2-Methylcitric acid structure

2-Methylcitric acid 

structure
  • CAS No:

    6061-96-7

  • Formula:

    C7H10O7

  • Chemical Name:

    2-Methylcitric acid

  • Synonyms:

    1,2,3-Butanetricarboxylic acid,2-hydroxy-;2-Hydroxy-1,2,3-butanetricarboxylic acid;2-Methylcitric acid;2-Hydroxy-1-methylpropane-1,2,3-tricarboxylic acid

Description

2-Methylcitric acid (Methylcitric acid) is an endogenous metabolite in the 2-methylcitric acid cycle. 2-Methylcitric acid accumulates in methylmalonic and propionic acidemias and acts as a marker metabolite. 2-Methylcitric acid markedly inhibits ADP-stimulated and uncoupled respiration in mitochondria supported by glutamate[1].


Solid


2-methylcitric acid is a tricarboxylic acid. It derives from a citric acid. It is a conjugate acid of a 2-methylcitrate(3-).

2-Methylcitric acid Basic Attributes

206.15000

206.15

2918199090

Characteristics

132.13000

-1.4

Solid

1.178g/cm3

79 °C

464.4ºC at 760 mmHg

234.7ºC

1.586

Drug Information

2-methylcitrate

Computed Properties

Molecular Weight:206.15
XLogP3:-1.4
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:206.04265265
Monoisotopic Mass:206.04265265
Topological Polar Surface Area:132
Heavy Atom Count:14
Complexity:271
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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