Chemical Formula: C7H12O4

Chemical Formula C7H12O4

Found 96 metabolite its formula value is C7H12O4

Pimelic acid

1,5-Pentanedicarboxylic acid

C7H12O4 (160.0735552)


Pimelic acid, also known as heptanedioic acid is a dicarboxylic acid. Derivatives of pimelic acid are involved in the biosynthesis of the amino acid called lysine. Pimelic acid is one methylene longer than a related dicarboxylic acid, adipic acid, a precursor to many polyesters and polyamides. Pimelic acid is essential for the synthesis of biotin (also called vitamin B7). Biotin is a heterocyclic, S-containing monocarboxylic acid that is made from two precursors, alanine and pimeloyl-CoA. Biotin is important in fatty acid synthesis, branched-chain amino acid catabolism, and gluconeogenesis. Biotin is found in a wide range of foods. Likewise, intestinal bacteria synthesize biotin, which is then absorbed by the host animal. Pimelic acid (which is the precursor for pimeloyl-CoA) is synthesized in many bacteria via a head-to-tail incorporation of acetate units through a modified fatty acid synthetic pathway using O-methyl esters disguised to resemble the canonical intermediates of the fatty acid synthetic pathway (PMID:21435937). Some bacteria and yeast synthesize pimelic acid not by biosynthesis, but via cleavage of longer chain fatty acids (such as linolenic acid) via a cytochrome P450-like enzyme (PMID:28196402, 21435937, 3236079). Pimelic acid is excreted in elevated amounts in the urine of individuals with mitochondrial beta-oxidation disorders and peroxisomal beta oxidation disorders (PMID:1527989) A group of compounds that are derivatives of heptanedioic acid with the general formula R-C7H11O4. KEIO_ID P063 Pimelic acid is the organic compound and its derivatives are involved in the biosynthesis of the amino acid called lysine. Pimelic acid is the organic compound and its derivatives are involved in the biosynthesis of the amino acid called lysine.

   

3,4-Dihydroxycyclohexanecarboxylic acid

(1S,3R,4S)-3,4-dihydroxycyclohexane-1-carboxylic acid

C7H12O4 (160.0735552)


   

2-PSA

2-PROPYL SUCCINIC ACID

C7H12O4 (160.0735552)


   

2,2-Dimethylglutaric acid

2,2-Dimethylpentanedioic acid

C7H12O4 (160.0735552)


2,2-Dimethylglutaric acid belongs to the class of organic compounds known as methyl-branched fatty acids. These are fatty acids with an acyl chain that has a methyl branch. Usually, they are saturated and contain only one or more methyl group. However, branches other than methyl may be present.

   

3,3-Dimethylglutaric acid

3,3-Dimethylpentanedioic acid

C7H12O4 (160.0735552)


3,3-Dimethylglutaric acid is a compound that has occasionally found in human urine. (PMID: 699273) [HMDB] 3,3-Dimethylglutaric acid is a compound that has occasionally found in human urine. (PMID: 699273). 3,3-Dimethylglutaric acid, a member of methyl-branched fatty acids, is a endogenous metabolite occasionally found in human urine[1].

   

3-methyladipate

(3S)-3-methylhexanedioic acid

C7H12O4 (160.0735552)


3-Methyladipic acid is a metabolite of the catabolism of phytanic acid. Patients with adult Refsums disease (ARD) are unable to detoxify phytanic acid by alpha-oxidation, and so the w-oxidation pathway is the only metabolic pathway available for phytanic acid degradation. This pathway produces 3-methyladipic acid as the final metabolite, which is excreted in the urine (Wanders et al. 2001). Activity of the w-oxidation pathway is approximately doubled in ARD patients compared with normal individuals (PMID: 11948235). [HMDB] 3-Methyladipic acid is a metabolite of the catabolism of phytanic acid. Patients with adult Refsums disease (ARD) are unable to detoxify phytanic acid by alpha-oxidation, and so the w-oxidation pathway is the only metabolic pathway available for phytanic acid degradation. This pathway produces 3-methyladipic acid as the final metabolite, which is excreted in the urine (Wanders et al. 2001). Activity of the w-oxidation pathway is approximately doubled in ARD patients compared with normal individuals (PMID: 11948235). 3-Methyladipic acid is the final metabolite in the ω-oxidation pathway.

   

Diethyl malonate

Methanedicarboxylic acid, diethyl ester

C7H12O4 (160.0735552)


Diethyl malonate, also known as dicarbethoxymethane or ethyl propanedioate, belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups. Diethyl malonate is a sweet, apple, and fruity tasting compound. Diethyl malonate has been detected, but not quantified, in a few different foods, such as alcoholic beverages, evergreen blackberries, and fruits. Like other esters, this compound can undergo bromination at the alpha position. Fischer esterification gives diethyl malonate: One of the principal uses of this compound is in the malonic ester synthesis. It occurs naturally in grapes and strawberries as a colourless liquid with an apple-like odour, and is used in perfumes. Malonic acid is a rather simple dicarboxylic acid, with the two carboxyl groups close together. The hydrogen atoms on a carbon adjacent to two carbonyl groups are even more acidic because the carbonyl groups help stabilize the carbanion resulting from the removal of that proton. Like many other esters, this compound can undergo the Claisen ester condensation. This alkylated 1,3-dicarbonyl compound (3) readily undergoes decarboxylation with loss of carbon dioxide, to give a substituted acetic acid, using Sodium ethoxide as the preferred base. The use of aqueous sodium hydroxide may give the base hydrolysis products: sodium malonate and ethanol. Diethyl malonate is a flavouring ingredient. It is a rather simple dicarboxylic acid, with two carboxyl groups close together in its molecule. In forming diethyl malonate from malonic acid, the hydroxyl group (-OH) on both of the carboxyl groups is replaced by an ethoxy group (-OEt; -OCH2CH3). The methylene group (-CH2-) in the middle of the malonic part of the diethyl malonate molecule is neighboured by two carbonyl groups (-C(=O)-). Diethyl malonate is found in alcoholic beverages such as wines, and in fruits such as guava, melon, concord grape, pineapple, blackberry.

   

Mono-methyl-adipate

Monomethyl 1,6-hexanedioic acid

C7H12O4 (160.0735552)


mono-methyl-adipate, or monomethyl adipate (CAS Number: 627-91-8), is a clear colorless liquid with a low (7-9 C) melting point and 162 C boiling point.

   

2-Methyladipic acid

2-Methylhexanedioic acid

C7H12O4 (160.0735552)


not found

   

Propyleneglycol diacetate

1-(acetyloxy)propan-2-yl acetate

C7H12O4 (160.0735552)


Propyleneglycol diacetate is found in Cucumis melo [Goodscents]. Found in Cucumis melo [Goodscents]

   

2-Ethylglutaric acid

2-ethylpentanedioic acid

C7H12O4 (160.0735552)


2-Ethylglutaric acid belongs to the family of Branched Fatty Acids. These are fatty acids containing a branched chain.

   

Ethyl methyl_succinate

1-Ethyl 4-methyl butanedioic acid

C7H12O4 (160.0735552)


Ethyl methyl_succinate belongs to the family of Fatty Acid Esters. These are carboxylic ester derivatives of a fatty acid.

   

5-Dihydroxyhept-6-enoic acid

5,5-dihydroxyhept-6-enoic acid

C7H12O4 (160.0735552)


   

Diethylmalonic acid

propanedioic acid, diethyl-

C7H12O4 (160.0735552)


   

Dimethyl glutarate

Pentanedioic acid, 1,5-dimethyl ester

C7H12O4 (160.0735552)


   

Methyl (S)-glycerate

(S)-Methyl 2,2-dimethyl-1,3-dioxolane-4-carboxylate

C7H12O4 (160.0735552)


   

Methyl glutarate

Methyl glutarate

C7H12O4 (160.0735552)


   

Dihydro-3-hydroxy-3-(1-hydroxyethyl)-4-methylfuran-2(3H)-one

Dihydro-3-hydroxy-3-(1-hydroxyethyl)-4-methylfuran-2(3H)-one

C7H12O4 (160.0735552)


   

2,4-Dimethylglutaric acid

2,4-Dimethylglutaric acid

C7H12O4 (160.0735552)


   

Ac-(R)-2-Hydroxy-3-methylbutanoic acid

Ac-(R)-2-Hydroxy-3-methylbutanoic acid

C7H12O4 (160.0735552)


   

2,3,4-Trihydroxy-6-methylcyclohexanone

2,3,4-Trihydroxy-6-methylcyclohexanone

C7H12O4 (160.0735552)


   

methyl (1R,3R,4S,5R)-3,6-anhydro-2-deoxyhexofuranoside

methyl (1R,3R,4S,5R)-3,6-anhydro-2-deoxyhexofuranoside

C7H12O4 (160.0735552)


   

methyl-succinic acid-4-ethyl ester

methyl-succinic acid-4-ethyl ester

C7H12O4 (160.0735552)


   

2-Ethyl-3-methylbutanedioic acid

2-Ethyl-3-methylbutanedioic acid

C7H12O4 (160.0735552)


   

ethyl 2-acetyloxypropanoate

ethyl 2-acetyloxypropanoate

C7H12O4 (160.0735552)


   

Me glycoside-3, 6-Dideoxy-erythro-hexopyranos-4-ulose

Me glycoside-3, 6-Dideoxy-erythro-hexopyranos-4-ulose

C7H12O4 (160.0735552)


   

Methyl 2-methoxy-4-oxopentanoate

Methyl 2-methoxy-4-oxopentanoate

C7H12O4 (160.0735552)


   

2-Hydroperoxypropionic acid 2-methyl-2-propenyl ester

2-Hydroperoxypropionic acid 2-methyl-2-propenyl ester

C7H12O4 (160.0735552)


   

Methyl 2,2-dimethyl-1,3-dioxolane-4-carboxylate

Methyl 2,2-dimethyl-1,3-dioxolane-4-carboxylate

C7H12O4 (160.0735552)


   

3-METHYLADIPIC ACID

(r)-3-methylhexanedioic acid

C7H12O4 (160.0735552)


An alpha,omega-dicarboxylic acid that is adipic acid substituted with a methyl group at position C-3. CONFIDENCE standard compound; INTERNAL_ID 158 3-Methyladipic acid is the final metabolite in the ω-oxidation pathway.

   

pimelic acid

6-Carboxyhexanoate

C7H12O4 (160.0735552)


An alpha,omega-dicarboxylic acid that is pentane with two carboxylic acid groups at positions C-1 and C-5. Pimelic acid is the organic compound and its derivatives are involved in the biosynthesis of the amino acid called lysine. Pimelic acid is the organic compound and its derivatives are involved in the biosynthesis of the amino acid called lysine.

   

6-Carboxyhexanoate

6-Carboxyhexanoate

C7H12O4 (160.0735552)


   

Diethyl malonic acid

Diethyl malonic acid

C7H12O4 (160.0735552)


   

2,2-DIMETHYLGLUTARIC ACID

2,2-Dimethylpentanedioic acid

C7H12O4 (160.0735552)


An alpha,omega-dicarboxylic acid that is pentanedioic acid with two methyl groups substituted at position C-2.

   

3,3-Dimethylglutarate

3,3-Dimethylpentanedioic acid

C7H12O4 (160.0735552)


3,3-Dimethylglutaric acid, a member of methyl-branched fatty acids, is a endogenous metabolite occasionally found in human urine[1].

   

3-methyl-adipic acid

3-methyl-hexanedioic acid

C7H12O4 (160.0735552)


   

2-Methyladipate

2-Methylhexanedioic acid

C7H12O4 (160.0735552)


   

Malonic ester

Methanedicarboxylic acid, diethyl ester

C7H12O4 (160.0735552)


   

Propyleneglycol diacetate

1-(acetyloxy)propan-2-yl acetate

C7H12O4 (160.0735552)


   

Methyl adipate

1-Methyl ester hexanedioic acid

C7H12O4 (160.0735552)


   

FA 7:1;O2

Dihydro-3-hydroxy-3-(1-hydroxyethyl)-4-methylfuran-2(3H)-one

C7H12O4 (160.0735552)


   

Glyceryl monomethacrylate

Glyceryl monomethacrylate

C7H12O4 (160.0735552)


   

2,2-Dimethylbutanedioic acid 4-methyl ester

2,2-Dimethylbutanedioic acid 4-methyl ester

C7H12O4 (160.0735552)


   

(S)-(-)-Methylsuccinic acid dimethyl ester

(S)-(-)-Methylsuccinic acid dimethyl ester

C7H12O4 (160.0735552)


   

Dimethyl dimethylmalonate

Dimethyl dimethylmalonate

C7H12O4 (160.0735552)


   

Diethyl malonate-2-13C

Diethyl malonate-2-13C

C7H12O4 (160.0735552)


   

1-Methyl-2,2-dimethylsuccinate

1-Methyl-2,2-dimethylsuccinate

C7H12O4 (160.0735552)


   

(R)-(-)-3-HYDROXYBUTYRICACID,SODIUMSALT

(R)-(-)-3-HYDROXYBUTYRICACID,SODIUMSALT

C7H12O4 (160.0735552)


   

2-sec-butylmalonic acid

2-sec-butylmalonic acid

C7H12O4 (160.0735552)


   

(S)-5-(2-HYDROXYETHYL)-2,2-DIMETHYL-1,3-DIOXOLAN-4-ONE

(S)-5-(2-HYDROXYETHYL)-2,2-DIMETHYL-1,3-DIOXOLAN-4-ONE

C7H12O4 (160.0735552)


   

5-Ethoxy-5-oxopentanoic acid

5-Ethoxy-5-oxopentanoic acid

C7H12O4 (160.0735552)


   

5-Methoxy-3-oxovaleric acid methyl ester

5-Methoxy-3-oxovaleric acid methyl ester

C7H12O4 (160.0735552)


   

Dimethyl (R)-(+)-methylsuccinate

Dimethyl (R)-(+)-methylsuccinate

C7H12O4 (160.0735552)


   

Diethyl malonate-1,2,3-13C3

Diethyl malonate-1,2,3-13C3

C7H12O4 (160.0735552)


   

diethylmalonic acid

diethylmalonic acid

C7H12O4 (160.0735552)


   

2,4,8,10-tetraoxaspiro[5.5]undecane

2,4,8,10-tetraoxaspiro[5.5]undecane

C7H12O4 (160.0735552)


   

3-tert-Butoxy-3-oxopropanoic acid

3-tert-Butoxy-3-oxopropanoic acid

C7H12O4 (160.0735552)


   

5-Methoxy-3-methyl-5-oxopentanoic acid

5-Methoxy-3-methyl-5-oxopentanoic acid

C7H12O4 (160.0735552)


   

2-Methoxyethyl acetoacetate

2-Methoxyethyl acetoacetate

C7H12O4 (160.0735552)


   

dimethyl methylsuccinate

dimethyl methylsuccinate

C7H12O4 (160.0735552)


   

1-ethyl-1-methylsuccinic acid

1-ethyl-1-methylsuccinic acid

C7H12O4 (160.0735552)


   

3-Ethoxy-2,2-dimethyl-3-oxopropanoic acid

3-Ethoxy-2,2-dimethyl-3-oxopropanoic acid

C7H12O4 (160.0735552)


   

Methyl 4-hydroxytetrahydro-2H-pyran-4-carboxylate

Methyl 4-hydroxytetrahydro-2H-pyran-4-carboxylate

C7H12O4 (160.0735552)


   

(R)-(+)-2,2-DIMETHYL-1,3-DIOXOLANE-4-CARBOXYLIC ACID METHYL ESTER

(R)-(+)-2,2-DIMETHYL-1,3-DIOXOLANE-4-CARBOXYLIC ACID METHYL ESTER

C7H12O4 (160.0735552)


   

2,3-o-isopropylidene-d-erythrofuranose

2,3-o-isopropylidene-d-erythrofuranose

C7H12O4 (160.0735552)


   

Methyl 4-ethoxy-3-oxobutanoate

Methyl 4-ethoxy-3-oxobutanoate

C7H12O4 (160.0735552)


   

(R)-1-METHYL HYDROGEN 3-METHYL GLUTARATE

(R)-1-METHYL HYDROGEN 3-METHYL GLUTARATE

C7H12O4 (160.0735552)


   

2-(2-hydroxyethoxy)ethyl prop-2-enoate

2-(2-hydroxyethoxy)ethyl prop-2-enoate

C7H12O4 (160.0735552)


   

Butylmalonic acid

Butylmalonic acid

C7H12O4 (160.0735552)


   

Trimethylene acetate

Trimethylene acetate

C7H12O4 (160.0735552)


An acetate ester obtained by the formal condensation of the two hydroxy groups of propane-1,3-diol with acetic acid.

   

poly(1-glycerol methacrylate)

poly(1-glycerol methacrylate)

C7H12O4 (160.0735552)


   

Diethyl malonate-1,3-13C2

Diethyl malonate-1,3-13C2

C7H12O4 (160.0735552)


   

2-hydroxypropyl 3-oxobutanoate

2-hydroxypropyl 3-oxobutanoate

C7H12O4 (160.0735552)


   

Methyl 2-methoxytetrahydro-3-furoate

Methyl 2-methoxytetrahydro-3-furoate

C7H12O4 (160.0735552)


   

[(2,2-Dimethylpropanoyl)oxy]acetic acid

[(2,2-Dimethylpropanoyl)oxy]acetic acid

C7H12O4 (160.0735552)


   

1,5-Anhydro-2,3-dideoxy-2-(methoxycarbonyl)-erythropentitol

1,5-Anhydro-2,3-dideoxy-2-(methoxycarbonyl)-erythropentitol

C7H12O4 (160.0735552)


   

Diethyl [1-14C]malonate

Diethyl [1-14C]malonate

C7H12O4 (160.0735552)


   

4-Methoxytetrahydro-2H-pyran-4-carboxylic acid

4-Methoxytetrahydro-2H-pyran-4-carboxylic acid

C7H12O4 (160.0735552)


   

(TETRAHYDRO-FURAN-2-YLMETHOXY)-ACETIC ACID

(TETRAHYDRO-FURAN-2-YLMETHOXY)-ACETIC ACID

C7H12O4 (160.0735552)


   

ethyl 4-methoxy-3-oxobutanoate

ethyl 4-methoxy-3-oxobutanoate

C7H12O4 (160.0735552)


   

Dimethyl ethylmalonate

Dimethyl ethylmalonate

C7H12O4 (160.0735552)


   

(2,5-DIMETHOXY-2,5-DIHYDROFURAN-2-YL)METHANOL

(2,5-DIMETHOXY-2,5-DIHYDROFURAN-2-YL)METHANOL

C7H12O4 (160.0735552)


   

3,3-dimethoxycyclobutane-1-carboxylic acid

3,3-dimethoxycyclobutane-1-carboxylic acid

C7H12O4 (160.0735552)


   

2,5-Dimethoxy-3-tetrahydrofurancarboxaldehyde

2,5-Dimethoxy-3-tetrahydrofurancarboxaldehyde

C7H12O4 (160.0735552)


   

2,3-o-isopropylidene-d-erythrose

2,3-o-isopropylidene-d-erythrose

C7H12O4 (160.0735552)


   

Butanedioic acid, ethyl methyl ester

Butanedioic acid, ethyl methyl ester

C7H12O4 (160.0735552)


   

propylene glycol diacetate

1,2-Propyleneglycol diacetate

C7H12O4 (160.0735552)


   

AI3-00656

PROPANEDIOIC ACID,DIETHYL ESTER (MALONIC ACID,DIETHYL ESTER)

C7H12O4 (160.0735552)


   

(1S,3R,4S)-3,4-dihydroxycyclohexane-1-carboxylic acid

(1S,3R,4S)-3,4-dihydroxycyclohexane-1-carboxylic acid

C7H12O4 (160.0735552)


   

DIETHYL MALONATE

DIETHYL MALONATE

C7H12O4 (160.0735552)


   

3,3-DIMETHYLGLUTARIC ACID

3,3-DIMETHYLGLUTARIC ACID

C7H12O4 (160.0735552)


An alpha,omega-dicarboxylic acid that is glutaric acid substituted by two methyl groups at the C-3 position. 3,3-Dimethylglutaric acid, a member of methyl-branched fatty acids, is a endogenous metabolite occasionally found in human urine[1].

   

Monomethyl adipate

Monomethyl adipate

C7H12O4 (160.0735552)


A dicarboxylic acid monoester that is the monomethyl ester of adipic acid.

   

2-Methylhexanedioic acid

2-Methylhexanedioic acid

C7H12O4 (160.0735552)


   

2-Ethylglutaric acid

2-Ethylglutaric acid

C7H12O4 (160.0735552)


   

Dimethylglutaric acid

Dimethylglutaric acid

C7H12O4 (160.0735552)


   

Methyladipic acid

Methyladipic acid

C7H12O4 (160.0735552)