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Methylmalonic acid

Methylmalonic acid structure

CAS No:
516-05-2
Formula:
C4H6O4
Chemical Name:
Methylmalonic acid
Synonyms:
Propanedioic acid,2-methyl-;Malonic acid,methyl-;Propanedioic acid,methyl-;2-Methylpropanedioic acid;1,1-Ethanedicarboxylic acid;Methylmalonic acid;Isosuccinic acid;2-Methylmalonic acid;Methylpropanedioic acid;NSC 25201
Categories:
Chemical Reagents > Organic Reagents

Description

Methylmalonate is an indicator of Vitamin B-12 deficiency in cancer.

Solid

Methylmalonic acid is a dicarboxylic acid that is malonic acid in which one of the methylene hydrogens is substituted by a methyl group. It has a role as a human metabolite. It derives from a malonic acid. It is a conjugate acid of a methylmalonate(1-).|A malonic acid derivative which is a vital intermediate in the metabolism of fat and protein. Abnormalities in methylmalonic acid metabolism lead to methylmalonic aciduria. This metabolic disease is attributed to a block in the enzymatic conversion of methylmalonyl CoA to succinyl CoA.

Methylmalonic acid Basic Attributes

Molecular Weight：

118.09

Exact Mass：

118.09

EC Number：

208-219-5

UNII：

8LL8S712J7

NSC Number：

25201

DSSTox ID：

DTXSID00199549

HScode：

2917190090

Characteristics

PSA：

74.6

XLogP3：

0.1

Appearance：

White Crystalline Powder

Density：

1.45

Melting Point：

135 °C (decomp)

Boiling Point：

120 °C @ Press: 15 Torr

Flash Point：

2℃

Refractive Index：

1.474

Water Solubility：

H2O: soluble

Storage Conditions：

-20°C

PKA：

3.12(at 20 °C)

Dissociation Constants：

3.12 (at 20 °C)

Safety Information

Transport codes：

UN 1648 3 / PGII

wgk germany：

hazard class code：

36/37/38-36-20/21/22-11

safety instructions：

26-36/37-16

RTECS Number：

OO1400000

Marks：

Xi,Xn,F

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

Drug Information

MeSH Entry Terms：

Acid, Methylmalonic

Methylmalonic acid Use and Manufacturing

Uses

Binds with coenzyme A to form methylmalonyl-CoA, also a metabolic intermediate transformed to succinic acid (SA) by a vitamin B12-dependent catalytic step, and is broadly used as a clinical biomarker of functional vitamin B12 status.

Use Classification：

Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Dicarboxylic acids [FA0117]

Computed Properties

Molecular Weight:118.09
XLogP3:0.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:118.02660867
Monoisotopic Mass:118.02660867
Topological Polar Surface Area:74.6
Heavy Atom Count:8
Complexity:103
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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