Exact Mass: 160.157555

Exact Mass Matches: 160.157555

Found 269 metabolites which its exact mass value is equals to given mass value 160.157555, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Rengyol

Trans-1-(2-Hydroxyethyl)-1,4-cyclohexanediol

C8H16O3 (160.10993860000002)


Rengyol is a member of cyclohexanols. Rengyol is a natural product found in Forsythia suspensa, Digitalis chalcantha, and other organisms with data available.

   

Methacholine

2-(Acetyloxy)-N,N,N-trimethyl-1-propanaminium chloride

C8H18NO2+ (160.1337468)


Methacholine acts as a non-selective muscarinic receptor agonist to stimulate the parasympathetic nervous system. It is most commonly used for diagnosing bronchial hyperreactivity, using the bronchial challenge test. Through this test, the drug causes bronchoconstriction and people with pre-existing airway hyperreactivity, such as asthmatics, will react to lower doses of drug. D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010277 - Parasympathomimetics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018679 - Cholinergic Agonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D008916 - Miotics D019141 - Respiratory System Agents > D016085 - Bronchoconstrictor Agents V - Various > V04 - Diagnostic agents

   

N(6)-Methyllysine

epsilon-N-Methyllysine hydrochloride, (L-lys)-isomer

C7H16N2O2 (160.12117160000003)


N(6)-Methyllysine is a naturally occurring amino acid found in human biofluids. N-monomethyl-lysine is generated by metabolic transmethylation of endogenous lysine. Lysine methylation displays the highest degree of complexity among known covalent histone modifications, with each site of methylation regulating the association of different effector molecules. The versatility of lysine methylation marks is perhaps best exemplified by modifications implicated in transcriptional regulation as well as being required for double-strand break repair in several organisms. Identification of the numerous biological functions encoded by histone lysine methylation is a major area of research interest, as these mechanisms are intimately associated with cellular senescence, genomic instability, and leukemogenesis. While multiple sites of lysine methylation have been linked with gene activation, each modification is distributed to unique positions across the active gene. (PMID: 17030614, 1122639, 15756599, 3111294). N(6)-Methyllysine is a naturally occurring amino acid found in human biofluids. N-monomethyl-lysine is generated by metabolic transmethylation of endogenous lysine.

   

Ethyl (±)-3-hydroxyhexanoate

3-Hydroxyhexanoic acid ethyl ester

C8H16O3 (160.10993860000002)


Ethyl (±)-3-hydroxyhexanoate is found in alcoholic beverages. Ethyl (±)-3-hydroxyhexanoate is a food flavourant. Ethyl (±)-3-hydroxyhexanoate is present in cognac, Scotch whisky, orange juice and peel, grapefruit, pineapple, purple passion fruit and other fruit Ethyl (±)-3-hydroxyhexanoate is a food flavourant. It is found in alcoholic beverages such as cognac, scotch and whisky, and in citrus, and fruits.

   

4-Hydroxyvalproic acid

4-Hydroxyvalproate, (r*,r*)-isomer

C8H16O3 (160.10993860000002)


4-Hydroxyvalproic acid is only found in individuals that have used or taken Valproic Acid. 4-Hydroxyvalproic acid is a metabolite of Valproic Acid. 4-hydroxyvalproic acid belongs to the family of Branched Fatty Acids. These are fatty acids containing a branched chain.

   

5-Hydroxyvalproic acid

2-N-Propyl-5-hydroxypentanoic acid

C8H16O3 (160.10993860000002)


5-Hydroxyvalproic acid is only found in individuals that have used or taken Valproic Acid. 5-Hydroxyvalproic acid is a metabolite of Valproic Acid. 5-hydroxyvalproic acid belongs to the family of Branched Fatty Acids. These are fatty acids containing a branched chain.

   

3-Hydroxyvalproic acid

2-N-Propyl-3-hydroxypentanoic acid

C8H16O3 (160.10993860000002)


3-Hydroxyvalproic acid is only found in individuals that have used or taken Valproic Acid. 3-Hydroxyvalproic acid is a metabolite of Valproic Acid. 3-hydroxyvalproic acid belongs to the family of Branched Fatty Acids. These are fatty acids containing a branched chain.

   

3-Hydroxyoctanoic acid

3-Hydroxyoctanoic acid, (S)-isomer

C8H16O3 (160.1099386)


3-Hydroxyoctanoic acid (CAS: 14292-27-4) is an organic 3-hydroxy dicarboxylic acid, a metabolite of medium-chain fatty acid oxidation found in human urine. It is believed that urinary 3-hydroxy dicarboxylic acids are derived from the omega-oxidation of 3-hydroxy fatty acids and the subsequent beta-oxidation of longer-chain 3-hydroxy dicarboxylic acids. (PMID:1870421). 3-Hydroxyoctanoic acid has been identified in the human placenta (PMID: 32033212). 3-Hydroxycaprylic acid is an organic (3-hydroxy dicarboxylic) acid, a metabolite of medium-chain fatty acid oxidation found in human urine. It is believed that urinary 3-hydroxy dicarboxylic acids are derived from the w-oxidation of 3-hydroxy fatty acids and the subsequent b-oxidation of longer-chain 3-hydroxy dicarboxylic acids. (PMID 1870421 ) [HMDB]

   
   

8-Hydroxyoctanoate

Omega-hydroxyoctanoic acid

C8H16O3 (160.10993860000002)


8-Hydroxyoctanoate belongs to the class of organic compounds known as medium-chain hydroxy acids and derivatives. These are hydroxy acids with a 6 to 12 carbon atoms long side chain.

   

2-hydroxyoctanoate

alpha-Hydroxy-N-caprylic acid

C8H16O3 (160.10993860000002)


Hydroxyoctanoic acid medium chain substrate of the 2-hydroxy acid oxidases associated with the 3 distinct human 2-hydroxy acid oxidase genes, HAOX1, HAOX2, and HAOX3. (PMID: 10777549) [HMDB] Hydroxyoctanoic acid medium chain substrate of the 2-hydroxy acid oxidases associated with the 3 distinct human 2-hydroxy acid oxidase genes, HAOX1, HAOX2, and HAOX3. (PMID: 10777549). 2-Hydroxyoctanoic acid is a medium chain acyl-CoA synthetase inhibitor with a Ki of 500 μM[1]. 2-Hydroxyoctanoic acid is a medium chain acyl-CoA synthetase inhibitor with a Ki of 500 μM[1].

   

7-Hydroxyoctanoic acid

7-hydroxy-octanoic acid

C8H16O3 (160.10993860000002)


7-Hydroxyoctanoic acid is a normal metabolite of medium-chain fatty acid oxidation, and is excreted in the urine as 7-hydroxyoctanoyl-beta-D-glucuronide (PMID 8799296), and have been found slightly elevated in the urine of persons with abnormal fatty acid metabolism (PMID 2094705) [HMDB] 7-Hydroxyoctanoic acid is a normal metabolite of medium-chain fatty acid oxidation, and is excreted in the urine as 7-hydroxyoctanoyl-beta-D-glucuronide (PMID 8799296), and have been found slightly elevated in the urine of persons with abnormal fatty acid metabolism (PMID 2094705).

   

1,1-Diethoxypentane

1,1-Diethoxypentane

C9H20O2 (160.14632200000003)


1,1-Diethoxypentane is found in fruits. 1,1-Diethoxypentane is a volatile component of strawberries and other fruits. Volatile component of strawberries and other fruits. 1,1-Diethoxypentane is found in fruits.

   

Ethyl 2-hydroxy-4-methylpentanoate

Ethyl 2-hydroxy-4-methylpentanoic acid

C8H16O3 (160.10993860000002)


Ethyl 2-hydroxy-4-methylpentanoate belongs to the family of Alpha Hydroxy Acids and Derivatives. These are organic compounds containing a carboxylic acid substituted with a hydroxyl group on the adjacent carbon

   

xi-1-Ethoxy-1-pentyloxyethane

xi-1-Ethoxy-1-pentyloxyethane

C9H20O2 (160.14632200000003)


xi-1-Ethoxy-1-pentyloxyethane is found in fruits. xi-1-Ethoxy-1-pentyloxyethane is detected in strawberry volatiles. Detected in strawberry volatiles. xi-1-Ethoxy-1-pentyloxyethane is found in fruits.

   

(R)-2-Hydroxycaprylic acid

(R)-alpha-Hydroxycaprylic acid

C8H16O3 (160.10993860000002)


(R)-2-Hydroxycaprylic acid is an inhibitor of the medium chain acyl-CoA synthetase. [HMDB] (R)-2-Hydroxycaprylic acid is an inhibitor of the medium chain acyl-CoA synthetase.

   

Isoputreanine

N-(3-Aminopropyl)-4-aminobutanoic acid

C7H16N2O2 (160.12117160000003)


Isoputreanine is urinary metabolite of spermidine, which is predominantly excreted as the monoacetyl conjugate of N-(3-aminopropyl)pyrrolidin-2-one, the acetylated γ-lactam form of isoputreanine. A human metabolite taken as a putative food compound of mammalian origin [HMDB]

   

(R)-3-Hydroxyoctanoic acid

(R)-beta-Hydroxycaprylic acid

C8H16O3 (160.10993860000002)


In humans fatty acids are predominantly formed in the liver and adipose tissue, and mammary glands during lactation. (R)-3-Hydroxyoctanoic acid is an intermediate in fatty acid biosynthesis. Specifically, (R)-3-Hydroxyoctanoic acid is converted from 3-Oxo-Octanoic acid via enzymes; fatty-acid Synthase and 3-oxoacyl- [acyl-carrier-protein] reductase. (E.C: 2.3.1.85 and E.C: 1.1.1.100). Found in milk, strawberries and pineapple concentrate

   

Propionylcholine

trimethyl[2-(propanoyloxy)ethyl]azanium

C8H18NO2+ (160.1337468)


Propionylcholine (PCh) is a choline derivative, which can be hydrolyzed to generate propionic acid and choline (Ch), a precursor of acetylcholine (ACh), an important neurotransmitter, synthesis. Considerable interest is dealing with the developing biosensors for Ch and acetylcholine detections by using cholinesterase PCh can be used for surface modification for fabrication of biosensors. [HMDB] Propionylcholine (PCh) is a choline derivative, which can be hydrolyzed to generate propionic acid and choline (Ch), a precursor of acetylcholine (ACh), an important neurotransmitter, synthesis. Considerable interest is dealing with the developing biosensors for Ch and acetylcholine detections by using cholinesterase PCh can be used for surface modification for fabrication of biosensors.

   

(+/-)-Ethyl 2-hydroxy-3-methylvalerate

(+/-)-ethyl 2-hydroxy-3-methylvaleric acid

C8H16O3 (160.10993860000002)


(+/-)-Ethyl 2-hydroxy-3-methylvalerate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") It is used as a food additive .

   

Peroxyoctanoic acid

Octaneperoxoic acid, 1,1-dimethylethyl ester

C8H16O3 (160.10993860000002)


Peroxyoctanoic acid is a component of antimicrobial washes for poultry carcasses. Component of antimicrobial washes for poultry carcasses

   

1,1-Dimethoxyheptane

Heptaldehyde dimethyl acetal

C9H20O2 (160.14632200000003)


1,1-Dimethoxyheptane is a flavouring ingredient. Flavouring ingredient

   

Isoamyl lactate

3-Methylbutyl 2-hydroxypropanoic acid

C8H16O3 (160.10993860000002)


Isoamyl lactate belongs to the family of Alpha Hydroxy Acids and Derivatives. These are organic compounds containing a carboxylic acid substituted with a hydroxyl group on the adjacent carbon

   

1-(1-Methylethenyl)-4-(1-methylethyl)benzene

1-(1-Methylethenyl)-4-(1-methylethyl)benzene

C12H16 (160.1251936)


1-(1-Methylethenyl)-4-(1-methylethyl)benzene belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring.

   

1-(1-methylethenyl)-3-(1-methylethyl)-benzene

1-(1-methylethenyl)-3-(1-methylethyl)-benzene

C12H16 (160.1251936)


1-(1-methylethenyl)-3-(1-methylethyl)-benzene belongs to the class of organic compounds known as phenylpropenes. These are compounds containing a phenylpropene moiety, which consists of a propene substituent bound to a phenyl group.

   

(7R)-7-hydroxyoctanoic Acid

(7R)-(-)-7-Hydroxyoctanoic acid

C8H16O3 (160.10993860000002)


(7R)-7-hydroxyoctanoic Acid is also known as (-)-7-Hydroxycaprylate. (7R)-7-hydroxyoctanoic Acid is considered to be soluble (in water) and acidic. (7R)-7-hydroxyoctanoic Acid can be synthesized from octanoic acid. (7R)-7-hydroxyoctanoic Acid can be synthesized into icas#14 and ascr#14. (7R)-7-hydroxyoctanoic Acid is a fatty acid lipid molecule

   

Valine betaine

[(1S)-1-carboxy-2-methylpropyl]trimethylazanium

C8H18NO2+ (160.1337468)


Valine betaine belongs to the class of organic compounds known as valine and derivatives. Valine and derivatives are compounds containing valine or a derivative thereof resulting from reaction of valine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Based on a literature review a significant number of articles have been published on Valine betaine.

   

N2-Methyl-L-lysine

(2S)-6-amino-2-(methylamino)hexanoic acid

C7H16N2O2 (160.12117160000003)


N2-Methyl-L-lysine, also known as N(a)-methyl-L-lysine, belongs to the class of organic compounds known as l-alpha-amino acids. Lysine methylation displays the highest degree of complexity among known covalent histone modifications, with each site of methylation regulating the association of different effector molecules. The versatility of lysine methylation marks is perhaps best exemplified by modifications implicated in transcriptional regulation as well as being required for double-strand break repair in several organisms. Identification of the numerous biological functions encoded by histone lysine methylation is a major area of research interest. (PMID: 32119527)

   

1-Nonanethiol

nonane-1-thiol

C9H20S (160.128564)


   
   

(3-Aminopropyl)bis(2-aminoethyl)amine

N,N-Bis(2-aminoethyl)-1,3-propanediamine

C7H20N4 (160.168788)


   

2-Ethyl-6-hydroxyhexanoic acid

2-Ethyl-6-hydroxyhexanoic acid

C8H16O3 (160.10993860000002)


   

Bis(2-dimethylaminoethyl) ether

{2-[2-(dimethylamino)ethoxy]ethyl}dimethylamine

C8H20N2O (160.157555)


   

N,N'-Bis(2-aminoethyl)-1,3-propanediamine

(2-aminoethyl)({3-[(2-aminoethyl)amino]propyl})amine

C7H20N4 (160.168788)


   

Emeriamine

3-Amino-4-(trimethylazaniumyl)butanoic acid

C7H16N2O2 (160.12117160000003)


D007004 - Hypoglycemic Agents D004791 - Enzyme Inhibitors

   

Isovaleraldehyde diethyl acetal

isovaleraldehyde diethyl acetal

C9H20O2 (160.14632200000003)


Isovaleraldehyde diethyl acetal is a member of the class of compounds known as acetals. Acetals are compounds having the structure R2C(OR)2 ( R not Hydrogen) and thus diethers of geminal diols. Originally, the term was confined to derivatives of aldehydes (one R = H), but it now applies equally to derivatives of ketones (neither R = H ). Mixed acetals have different R groups. Isovaleraldehyde diethyl acetal is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Isovaleraldehyde diethyl acetal is a fatty and fruity tasting compound and can be found in a number of food items such as green bell pepper, yellow bell pepper, orange bell pepper, and red bell pepper, which makes isovaleraldehyde diethyl acetal a potential biomarker for the consumption of these food products.

   

Isovaleraldehyde glyceryl acetal

4-Hydroxymethyl-2-(2-methylpropyl)-1,3-dioxolane

C8H16O3 (160.10993860000002)


It is used as a food additive .

   
   

2-Hydroxyoctanoic acid

2-Hydroxyoctanoic acid

C8H16O3 (160.10993860000002)


2-Hydroxyoctanoic acid is a medium chain acyl-CoA synthetase inhibitor with a Ki of 500 μM[1]. 2-Hydroxyoctanoic acid is a medium chain acyl-CoA synthetase inhibitor with a Ki of 500 μM[1].

   

(+)-Trisnoranastreptene

(+)-Trisnoranastreptene

C12H16 (160.1251936)


   
   

1-tert-butyl-3-(2-hydroxyethyl)urea

1-tert-butyl-3-(2-hydroxyethyl)urea

C7H16N2O2 (160.12117160000003)


   
   
   
   
   

D-2,3,4,6,7-Pentadeoxy-2,6-diamino-ribo-hexose

D-2,3,4,6,7-Pentadeoxy-2,6-diamino-ribo-hexose

C7H16N2O2 (160.12117160000003)


   
   
   

ethyl 3-hydroxy-3-methylpentanoate

ethyl 3-hydroxy-3-methylpentanoate

C8H16O3 (160.10993860000002)


   
   

1,4-Dimethyl-1,2,3,6-tetrahydroazulene

1,4-Dimethyl-1,2,3,6-tetrahydroazulene

C12H16 (160.1251936)


   
   

8-Hydroxyoctanoate

8-Hydroxyoctanoic acid

C8H16O3 (160.10993860000002)


KEIO_ID H034

   

2-Hydroxyoctanoate

2-Hydroxyoctanoic acid

C8H16O3 (160.10993860000002)


KEIO_ID H035 2-Hydroxyoctanoic acid is a medium chain acyl-CoA synthetase inhibitor with a Ki of 500 μM[1]. 2-Hydroxyoctanoic acid is a medium chain acyl-CoA synthetase inhibitor with a Ki of 500 μM[1].

   

L-beta-Homolysine

(3S)-3,7-diaminoheptanoic acid

C7H16N2O2 (160.12117160000003)


Acquisition and generation of the data is financially supported in part by CREST/JST.

   
   
   

Hydroxyoctanoic acid

2-Hydroxyoctanoic acid

C8H16O3 (160.10993860000002)


2-Hydroxyoctanoic acid is a medium chain acyl-CoA synthetase inhibitor with a Ki of 500 μM[1]. 2-Hydroxyoctanoic acid is a medium chain acyl-CoA synthetase inhibitor with a Ki of 500 μM[1].

   
   

N6-Methyl-lysine; AIF; CE0; CorrDec

N6-Methyl-lysine; AIF; CE0; CorrDec

C7H16N2O2 (160.12117160000003)


   

N6-Methyl-lysine; AIF; CE10; CorrDec

N6-Methyl-lysine; AIF; CE10; CorrDec

C7H16N2O2 (160.12117160000003)


   

N6-Methyl-lysine; AIF; CE30; CorrDec

N6-Methyl-lysine; AIF; CE30; CorrDec

C7H16N2O2 (160.12117160000003)


   

N6-Methyl-lysine; AIF; CE0; MS2Dec

N6-Methyl-lysine; AIF; CE0; MS2Dec

C7H16N2O2 (160.12117160000003)


   

N6-Methyl-lysine; AIF; CE10; MS2Dec

N6-Methyl-lysine; AIF; CE10; MS2Dec

C7H16N2O2 (160.12117160000003)


   

N6-Methyl-lysine; AIF; CE30; MS2Dec

N6-Methyl-lysine; AIF; CE30; MS2Dec

C7H16N2O2 (160.12117160000003)


   
   
   
   
   

2-Hydroxyoctanoic acid

(R)-2-Hydroxycaprylic acid

C8H16O3 (160.10993860000002)


A hydroxy fatty acid that is caprylic (octanoic) acid substituted by a hydroxy group at position 2. 2-Hydroxyoctanoic acid is a medium chain acyl-CoA synthetase inhibitor with a Ki of 500 μM[1]. 2-Hydroxyoctanoic acid is a medium chain acyl-CoA synthetase inhibitor with a Ki of 500 μM[1].

   
   

3-HYDROXYOCTANOIC ACID

DL-b-Hydroxycaprylic acid

C8H16O3 (160.10993860000002)


An 8-carbon, beta-hydroxy fatty acid which may be a marker for primary defects of beta-hydroxy fatty acid metabolism. Repeating unit of poly(3-hydroxyoctanoic acid), a biopolymer used by numerous bacterial species as carbon and energy reserves.

   
   
   
   

4R-hydroxy-octanoic acid

Octanoic acid, 4-hydroxy-, (R)-

C8H16O3 (160.10993860000002)


   

7R-hydroxy-octanoic acid

Octanoic acid, 7-hydroxy-, (R)-

C8H16O3 (160.10993860000002)


   

7S-hydroxy-octanoic acid

Octanoic acid, 7-hydroxy-, (S)-

C8H16O3 (160.10993860000002)


   

3-hydroxy-isoheptanoic acid

3-hydroxy-6-methyl-hexanoic acid

C8H16O3 (160.10993860000002)


   
   
   
   

2R-hydroxy-octanoic acid

Octanoic acid, 2-hydroxy-, (R)-

C8H16O3 (160.10993860000002)


   

R-3-Hydroxyoctanoic acid

Octanoic acid, 3-hydroxy-, (R)-

C8H16O3 (160.10993860000002)


   

FEMA 3545

Ethyl (±)-3-hydroxyhexanoate

C8H16O3 (160.10993860000002)


   

ethyl 2-hydroxy-3-methylpentanoate

(+/-)-Ethyl 2-hydroxy-3-methylvalerate

C8H16O3 (160.10993860000002)


   

Kayaester O

Octaneperoxoic acid, 1,1-dimethylethyl ester

C8H16O3 (160.10993860000002)


   

xi-1-Ethoxy-1-pentyloxyethane

xi-1-Ethoxy-1-pentyloxyethane

C9H20O2 (160.14632200000003)


   
   

FEMA 2541

Heptaldehyde dimethyl acetal

C9H20O2 (160.14632200000003)


   

FA 8:0;O

2-N-Propyl-3-hydroxypentanoic acid

C8H16O3 (160.10993860000002)


   

SFE 8:0;O

(+/-)-Ethyl 2-hydroxy-3-methylvalerate

C8H16O3 (160.10993860000002)


   
   

3-(4-N-PROPYLPHENYL)-1-PROPENE

3-(4-N-PROPYLPHENYL)-1-PROPENE

C12H16 (160.1251936)


   
   

1-Propanol, 3-[(tetrahydro-2H-pyran-2-yl)oxy]-

1-Propanol, 3-[(tetrahydro-2H-pyran-2-yl)oxy]-

C8H16O3 (160.10993860000002)


   
   

2,6-DIMETHYLTETRALINE

2,6-DIMETHYLTETRALINE

C12H16 (160.1251936)


   

2,7-Dimethyltetralin

2,7-Dimethyltetralin

C12H16 (160.1251936)


   

5-Ethyltetralin

5-Ethyltetralin

C12H16 (160.1251936)


   

tert-nonyl mercaptan

tert-nonyl mercaptan

C9H20S (160.128564)


   

(2S)-2-((TETRAHYDRO-2H-PYRAN-2-YL)OXY)PROPAN-1-OL

(2S)-2-((TETRAHYDRO-2H-PYRAN-2-YL)OXY)PROPAN-1-OL

C8H16O3 (160.10993860000002)


   

Ethanol,2-[[2-(diethylamino)ethyl]amino]-

Ethanol,2-[[2-(diethylamino)ethyl]amino]-

C8H20N2O (160.157555)


   

N-Amino-N-methylglycine tert-butyl ester

N-Amino-N-methylglycine tert-butyl ester

C7H16N2O2 (160.12117160000003)


   

4-(Heptafluoropropylsulfonyl)chlorobenzene

4-(Heptafluoropropylsulfonyl)chlorobenzene

C12H16 (160.1251936)


   

METHYLCYCLOPENTADIENE DIMER

METHYLCYCLOPENTADIENE DIMER

C12H16 (160.1251936)


   

1,8-DIMETHYLTETRALIN

1,8-DIMETHYLTETRALIN

C12H16 (160.1251936)


   

5,7-dimethyltetralin

5,7-dimethyltetralin

C12H16 (160.1251936)


   

Methyl octyl sulfide

Methyl n-octyl sulfide

C9H20S (160.128564)


   

TERT-BUTYL (R)-(+)-2-HYDROXYBUTYRATE

TERT-BUTYL (R)-(+)-2-HYDROXYBUTYRATE

C8H16O3 (160.10993860000002)


   

tert-Butyl (2S)-2-hydroxybutanoate

tert-Butyl (2S)-2-hydroxybutanoate

C8H16O3 (160.10993860000002)


   

Ethyl 3-hydroxy-4-methylpentanoate

Ethyl 3-hydroxy-4-methylpentanoate

C8H16O3 (160.10993860000002)


   

3-(3-Methoxypropyl)-1,1-dimethylure

3-(3-Methoxypropyl)-1,1-dimethylure

C7H16N2O2 (160.12117160000003)


   

tert-butyl 2-hydroxy-2-methylpropanoate

tert-butyl 2-hydroxy-2-methylpropanoate

C8H16O3 (160.10993860000002)


   

hex-5-enylbenzene

hex-5-enylbenzene

C12H16 (160.1251936)


   

Bis(trimethylsilyl)methane

Methylenebis(trimethylsilane)

C7H20Si2 (160.110348)


   

fluorodiisobutylaluminium

fluorodiisobutylaluminium

C8H18AlF (160.120787)


   
   

3-Methoxy-3-methylbutyl Acetate

3-Methoxy-3-methylbutyl Acetate

C8H16O3 (160.10993860000002)


   

2,4-Diethyl-6-methyl-1,3,5-trioxane

2,4-Diethyl-6-methyl-1,3,5-trioxane

C8H16O3 (160.10993860000002)


   

ethyl 2-ethyl-2-hydroxy-butanoate

ethyl 2-ethyl-2-hydroxy-butanoate

C8H16O3 (160.10993860000002)


   

(4s,5s)-4,5-di(aminomethyl)-2,2-dimethyldioxolane

(4s,5s)-4,5-di(aminomethyl)-2,2-dimethyldioxolane

C7H16N2O2 (160.12117160000003)


   

3-[(4S)-2,2-DIMETHYL-1,3-DIOXOLAN-4-YL]-PROPANOL

3-[(4S)-2,2-DIMETHYL-1,3-DIOXOLAN-4-YL]-PROPANOL

C8H16O3 (160.10993860000002)


   

3-(2,6-DIMETHYLPHENYL)-2-METHYL-1-PROPENE

3-(2,6-DIMETHYLPHENYL)-2-METHYL-1-PROPENE

C12H16 (160.1251936)


   

N-MeLys

N(2)-methyl-L-lysine

C7H16N2O2 (160.12117160000003)


A N-methyl-L-amino acid that is the N(alpha)-methyl derivative of L-lysine.

   

Furan,2,5-diethoxytetrahydro-

Furan,2,5-diethoxytetrahydro-

C8H16O3 (160.10993860000002)


   

Diisopropyl(ethoxy)silane

Diisopropyl(ethoxy)silane

C8H20OSi (160.128335)


   
   
   

4-(Tetrahydro-2-furanyloxy)-1-butanol

4-(Tetrahydro-2-furanyloxy)-1-butanol

C8H16O3 (160.10993860000002)


   

1,1-Dimethyltetralin

1,1-Dimethyltetralin

C12H16 (160.1251936)


   

2-ETHYLTETRALIN

2-ETHYLTETRALIN

C12H16 (160.1251936)


   

1,4-Dimethyltetralin

1,4-Dimethyltetralin

C12H16 (160.1251936)


   
   
   
   

5-O-TOLYL-2-PENTENE

5-O-TOLYL-2-PENTENE

C12H16 (160.1251936)


   

1,3-Propanediol,2-butyl-2-ethyl-

1,3-Propanediol,2-butyl-2-ethyl-

C9H20O2 (160.14632200000003)


   
   

(R)-2-(HYDROXYMETHYL)-1,4-BENZODIOXANE

(R)-2-(HYDROXYMETHYL)-1,4-BENZODIOXANE

C8H16O3 (160.10993860000002)


   

p-Isobutylstyrene

p-Isobutylstyrene

C12H16 (160.1251936)


   

1-fluoro-Decane

1-fluoro-Decane

C10H21F (160.1627198)


   

4-TERT-BUTYLSTYRENE

4-TERT-BUTYLSTYRENE

C12H16 (160.1251936)


   
   

5,5-DIMETHYL-1,3-DIOXANE-2-ETHANOL

5,5-DIMETHYL-1,3-DIOXANE-2-ETHANOL

C8H16O3 (160.10993860000002)


   

1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalene

1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalene

C12H16 (160.1251936)


   

acenaphthylene d8

acenaphthylene d8

C12D8 (160.112814224)


   

Ethoxytriethylsilane

Ethoxytriethylsilane

C8H20OSi (160.128335)


   

tert-Butyl 4-hydroxybutanoate

tert-Butyl 4-hydroxybutanoate

C8H16O3 (160.10993860000002)


   

Butane,1,1-[methylenebis(oxy)]bis-

Butane,1,1-[methylenebis(oxy)]bis-

C9H20O2 (160.14632200000003)


   

TRIISOPROPYLPHOSPHINE

TRIISOPROPYLPHOSPHINE

C9H21P (160.1380796)


   
   

1,5-dimethyltetralin

1,5-dimethyltetralin

C12H16 (160.1251936)


   

(R)-3-tert-Butoxy-2-aminopropanamide

(R)-3-tert-Butoxy-2-aminopropanamide

C7H16N2O2 (160.12117160000003)


   

3-(1-Piperazinyl)-1,2-propanediol

3-(1-Piperazinyl)-1,2-propanediol

C7H16N2O2 (160.12117160000003)


   

(R)-2-Amino-3-(diethylamino)propanoic acid

(R)-2-Amino-3-(diethylamino)propanoic acid

C7H16N2O2 (160.12117160000003)


   

tert-Butyl (3S)-3-hydroxybutanoate

tert-Butyl (3S)-3-hydroxybutanoate

C8H16O3 (160.10993860000002)


   
   
   

Ethyl 2-hydroxy-4-methylvalerate

ethyl 2-hydroxy-4-methyl valerate

C8H16O3 (160.10993860000002)


   

Cyclohexylbenzene

Cyclohexylbenzene

C12H16 (160.1251936)


   

(2-(METHYLSULFONYL)PHENYL)METHANAMINE

(2-(METHYLSULFONYL)PHENYL)METHANAMINE

C8H16O3 (160.10993860000002)


   
   

5-PHENYL-2-HEXENE

5-PHENYL-2-HEXENE

C12H16 (160.1251936)


   

3-hydroxy-4,4-dimethyl-pentanoic acid methyl ester

3-hydroxy-4,4-dimethyl-pentanoic acid methyl ester

C8H16O3 (160.10993860000002)


   

(2S,5ζ)-2-Isopropyl-1,5-hexanediol

(2S,5ζ)-2-Isopropyl-1,5-hexanediol

C9H20O2 (160.14632200000003)


   
   

1-amino-3-morpholin-4-yl-propan-2-ol

1-amino-3-morpholin-4-yl-propan-2-ol

C7H16N2O2 (160.12117160000003)


   

1-Adamantylacetylene

1-Adamantylacetylene

C12H16 (160.1251936)


   

Amyl lactate

Propanoic acid,2-hydroxy-, pentyl ester

C8H16O3 (160.10993860000002)


   

(S)-1-AMINO-3-MORPHOLINOPROPAN-2-OL

(S)-1-AMINO-3-MORPHOLINOPROPAN-2-OL

C7H16N2O2 (160.12117160000003)


   
   

Tripropylphosphine

Tripropylphosphine

C9H21P (160.1380796)


   

di-t-butylmethylphosphine

di-t-butylmethylphosphine

C9H21P (160.1380796)


   

borane-di(tert-butyl)phosphine complex

borane-di(tert-butyl)phosphine complex

C8H22BP (160.1552092)


   

ISOBUTYRIC ACID 2-ETHOXYETHYL ESTER

ISOBUTYRIC ACID 2-ETHOXYETHYL ESTER

C8H16O3 (160.10993860000002)


   
   
   

Ethyl 2-hydroxy-4-methylvalerate, (2R)-

Ethyl 2-hydroxy-4-methylvalerate, (2R)-

C8H16O3 (160.10993860000002)


   

Methyl 3-hydroxy-2-methylhexanoate

Methyl 3-hydroxy-2-methylhexanoate

C8H16O3 (160.10993860000002)


   

N-(5-aminopentyl)-N-hydroxyacetamide

N-(5-aminopentyl)-N-hydroxyacetamide

C7H16N2O2 (160.12117160000003)


   

3-Hydroxy-4-methylheptanoic acid

3-Hydroxy-4-methylheptanoic acid

C8H16O3 (160.10993860000002)


   

3-Hydroxy-3-methylheptanoic acid

3-Hydroxy-3-methylheptanoic acid

C8H16O3 (160.10993860000002)


   

p-Isopropyl-alpha-methylstyrene

p-Isopropyl-alpha-methylstyrene

C12H16 (160.1251936)


   

1-Isopropenyl-3-isopropylbenzene

1-Isopropenyl-3-isopropylbenzene

C12H16 (160.1251936)


   

Trimethyl(4-carboxybutyl)aminium

Trimethyl(4-carboxybutyl)aminium

C8H18NO2+ (160.1337468)


   

Carpronium

Carpronium

C8H18NO2+ (160.1337468)


C78272 - Agent Affecting Nervous System > C47796 - Cholinergic Agonist

   
   
   
   

2-Hydroxy-2-propylpentanoic acid

2-Hydroxy-2-propylpentanoic acid

C8H16O3 (160.10993860000002)


   

5-Ortho-tolylpentene

5-Ortho-tolylpentene

C12H16 (160.1251936)


   

1-(1-Ethoxyethoxy)-3-methylbutane

1-(1-Ethoxyethoxy)-3-methylbutane

C9H20O2 (160.14632200000003)


   

1,4,7-Trimethylindan

1,4,7-Trimethylindan

C12H16 (160.1251936)


   

2,3-Dihydro-1,1,3-trimethyl-1H-indene

2,3-Dihydro-1,1,3-trimethyl-1H-indene

C12H16 (160.1251936)


   

Ethylpentamethyldisilane

Ethylpentamethyldisilane

C7H20Si2 (160.110348)


   

1,1,5-Trimethylindan

1,1,5-Trimethylindan

C12H16 (160.1251936)


   

Silane, trimethyl(pentyloxy)-

Silane, trimethyl(pentyloxy)-

C8H20OSi (160.128335)


   
   

Trimethyl(1-methylbutoxy)silane

Trimethyl(1-methylbutoxy)silane

C8H20OSi (160.128335)


   

Silane, (2,2-dimethylpropoxy)trimethyl-

Silane, (2,2-dimethylpropoxy)trimethyl-

C8H20OSi (160.128335)


   

Silane, (isopentyloxy)trimethyl-

Silane, (isopentyloxy)trimethyl-

C8H20OSi (160.128335)


   

1H-Indene, 2,3-dihydro-1,1,6-trimethyl-

1H-Indene, 2,3-dihydro-1,1,6-trimethyl-

C12H16 (160.1251936)


   

Silane, (1,1-dimethylpropoxy)trimethyl-

Silane, (1,1-dimethylpropoxy)trimethyl-

C8H20OSi (160.128335)


   

1H-Indene, 2,3-dihydro-1,1,4-trimethyl-

1H-Indene, 2,3-dihydro-1,1,4-trimethyl-

C12H16 (160.1251936)


   
   
   

1,5,7-Trimethylindan

1,5,7-Trimethylindan

C12H16 (160.1251936)


   

(1,2-Dimethylpropoxy)(trimethyl)silane

(1,2-Dimethylpropoxy)(trimethyl)silane

C8H20OSi (160.128335)


   

Silane, trimethyl(2-methylbutoxy)-

Silane, trimethyl(2-methylbutoxy)-

C8H20OSi (160.128335)


   

4-(1,3,2-Dioxaborolan-2-yloxy)butan-1-aminium

4-(1,3,2-Dioxaborolan-2-yloxy)butan-1-aminium

C6H15BNO3+ (160.11449299999998)


   

AI3-05776

InChI=1\C12H16\c1-3-7-11(8-4-1)12-9-5-2-6-10-12\h1,3-4,7-8,12H,2,5-6,9-10H

C12H16 (160.1251936)


   

Dehydrohomospermidine

Dehydrohomospermidine

C8H22N3+3 (160.1813632)


   

2-(1-Hydroxyethyl)valeric acid methyl ester

2-(1-Hydroxyethyl)valeric acid methyl ester

C8H16O3 (160.10993860000002)


   

Propyl 3-hydroxy-2-methylbutanoate

Propyl 3-hydroxy-2-methylbutanoate

C8H16O3 (160.10993860000002)


   

[(2R,3S)-2-hydroxy-6-oxohexan-3-yl]-dimethylazanium

[(2R,3S)-2-hydroxy-6-oxohexan-3-yl]-dimethylazanium

C8H18NO2+ (160.1337468)


   

2-(Trimethylaminio)-3-methylbutanoate

2-(Trimethylaminio)-3-methylbutanoate

C8H18NO2+ (160.1337468)


   

Acetyl-methylcholine

Acetyl-methylcholine

C8H18NO2+ (160.1337468)


   

2-Acetyloxyethyl-ethyl-dimethylammonium

2-Acetyloxyethyl-ethyl-dimethylammonium

C8H18NO2+ (160.1337468)


   

1-Carboxyheptan-1-aminium

1-Carboxyheptan-1-aminium

C8H18NO2+ (160.1337468)


An alpha-amino-acid cation that is the conjugate acid of 2-aminooctanoic acid, arising from protonation of the amino group.

   

1-Carboxybutyl(trimethyl)azanium

1-Carboxybutyl(trimethyl)azanium

C8H18NO2+ (160.1337468)


   

4-Carboxybutan-2-yl(trimethyl)azanium

4-Carboxybutan-2-yl(trimethyl)azanium

C8H18NO2+ (160.1337468)


   

(2S,3S)-3-Methylbutan-1,2,4-triol 1,2-isopropylidene acetal

(2S,3S)-3-Methylbutan-1,2,4-triol 1,2-isopropylidene acetal

C8H16O3 (160.10993860000002)


   

Acetaldehyde butylisopropyl acetal

Acetaldehyde butylisopropyl acetal

C9H20O2 (160.14632200000003)


   

Acetaldehyde isobutylpropyl acetal

Acetaldehyde isobutylpropyl acetal

C9H20O2 (160.14632200000003)


   

Methyl (3S,4S)-3-hydroxy-4-methylhexanoate

Methyl (3S,4S)-3-hydroxy-4-methylhexanoate

C8H16O3 (160.10993860000002)


   

Deuterio-[3-[deuterio(dimethyl)silyl]propyl]-dimethylsilane

Deuterio-[3-[deuterio(dimethyl)silyl]propyl]-dimethylsilane

C7H20Si2 (160.110348)


   

Deuterio-[1,1,2,2,3,3-hexadeuterio-3-[deuterio(dimethyl)silyl]propyl]-dimethylsilane

Deuterio-[1,1,2,2,3,3-hexadeuterio-3-[deuterio(dimethyl)silyl]propyl]-dimethylsilane

C7H20Si2 (160.110348)


   

Butyl-deuterio-[deuterio(dimethyl)silyl]-methylsilane

Butyl-deuterio-[deuterio(dimethyl)silyl]-methylsilane

C7H20Si2 (160.110348)


   

methacholine

methacholine

C8H18NO2+ (160.1337468)


A quaternary ammonium ion in which the nitrogen is substituted with three methyl groups and a 2-acetoxypropyl group. Parasympathomimetic bronchoconstrictor drug used in clinical diagnosis. D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010277 - Parasympathomimetics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018679 - Cholinergic Agonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D008916 - Miotics D019141 - Respiratory System Agents > D016085 - Bronchoconstrictor Agents V - Various > V04 - Diagnostic agents

   

N(6)-Methyllysine

N(6)-Methyllysine

C7H16N2O2 (160.12117160000003)


A lysine derivative that is lysine in which one of the hydrogens attached to N(6) is substituted by a methyl group.

   
   

8-Hydroxyoctanoic acid

8-Hydroxyoctanoic acid

C8H16O3 (160.10993860000002)


An omega-hydroxy fatty acid that is caprylic acid in which one of the hydrogens of the terminal methyl group is replaced by a hydroxy group.

   
   

(S)-3-hydroxyoctanoic acid

(S)-3-hydroxyoctanoic acid

C8H16O3 (160.10993860000002)


The (S)-enantiomer of 3-hydroxyoctanoic acid.

   
   

n,n-bis(2-aminoethyl)propan-1,3-diamin

N,N-Bis(2-aminoethyl)-1,3-propanediamine

C7H20N4 (160.168788)


   
   

Isoamyl lactate

lactic acid isoamyl ester

C8H16O3 (160.10993860000002)


   
   
   

(R)-3-Hydroxyoctanoic acid

(R)-3-Hydroxyoctanoic acid

C8H16O3 (160.10993860000002)


The (R)-enantiomer of 3-hydroxyoctanoic acid; an important building block in the biomedical and pharmaceutical fields.

   
   
   
   

5-OH-VPA

2-N-Propyl-5-hydroxypentanoic acid

C8H16O3 (160.10993860000002)


   

(7R)-7-hydroxyoctanoic Acid

(7R)-7-hydroxyoctanoic Acid

C8H16O3 (160.10993860000002)


An (omega-1)-hydroxy fatty acid that is octanoic acid in which the 7-pro-R hydrogen has been replaced by a hydroxy group.

   
   

Octanoic acid, 7-hydroxy-, (S)-

Octanoic acid, 7-hydroxy-, (S)-

C8H16O3 (160.10993860000002)


   

3-methylbutyl 2-hydroxypropanoate

3-methylbutyl 2-hydroxypropanoate

C8H16O3 (160.10993860000002)


A carboxylic ester obtained by the formal condensation of the carboxy group of 2-hydroxypropanoic acid with the hydroxy group of isoamylol.

   

1-ethoxy-1-pentoxyethane

1-ethoxy-1-pentoxyethane

C9H20O2 (160.14632200000003)


A dieter that is 1-pentoxyethane substituted by an ethoxy group at position 1.

   

N(6)-Methyl-L-lysine

N(6)-Methyl-L-lysine

C7H16N2O2 (160.12117160000003)


An L-lysine derivative that is L-lysine in which one of the hydrogens attached to N(6) is substituted by a methyl group.

   
   
   
   
   

2-ethyl-3-hydroxyhexanoic acid

2-ethyl-3-hydroxyhexanoic acid

C8H16O3 (160.10993860000002)


   

2(Methoxymethyl)-2,4,5-trimethyl-1,3-dioxolane

NA

C8H16O3 (160.10993860000002)


{"Ingredient_id": "HBIN005917","Ingredient_name": "2(Methoxymethyl)-2,4,5-trimethyl-1,3-dioxolane","Alias": "NA","Ingredient_formula": "C8H16O3","Ingredient_Smile": "CC1C(OC(O1)(C)COC)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40277","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

Amyl acetaldehyde

NA

C9H20O2 (160.14632200000003)


{"Ingredient_id": "HBIN015938","Ingredient_name": "Amyl acetaldehyde","Alias": "NA","Ingredient_formula": "C9H20O2","Ingredient_Smile": "CCCCCOC(C)OCC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "36931","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

Benzene, 1-(2-butenyl)-2,3-dimethyl-

1-[(2E)-2-Butenyl]-2,3-dimethylbenzene; 1-[(E)-but-2-enyl]-2,3-dimethylbenzene; 1-[(E)-but-2-enyl]-2,3-dimethyl-benzene

C12H16 (160.1251936)


{"Ingredient_id": "HBIN017739","Ingredient_name": "Benzene, 1-(2-butenyl)-2,3-dimethyl-","Alias": "1-[(2E)-2-Butenyl]-2,3-dimethylbenzene; 1-[(E)-but-2-enyl]-2,3-dimethylbenzene; 1-[(E)-but-2-enyl]-2,3-dimethyl-benzene","Ingredient_formula": "C12H16","Ingredient_Smile": "CC=CCC1=CC=CC(=C1C)C","Ingredient_weight": "160.25 g/mol","OB_score": "10.73618534","CAS_id": "NA","SymMap_id": "SMIT04219","TCMID_id": "NA","TCMSP_id": "MOL001866","TCM_ID_id": "NA","PubChem_id": "5372817","DrugBank_id": "NA"}

   
   

(1r,4r)-1-(2-hydroxyethyl)cyclohexane-1,4-diol

(1r,4r)-1-(2-hydroxyethyl)cyclohexane-1,4-diol

C8H16O3 (160.10993860000002)


   

(1s,5s,6s)-2,6-dimethyltricyclo[4.4.0.0¹,⁵]deca-2,9-diene

(1s,5s,6s)-2,6-dimethyltricyclo[4.4.0.0¹,⁵]deca-2,9-diene

C12H16 (160.1251936)


   

butyl (3s)-3-hydroxybutanoate

butyl (3s)-3-hydroxybutanoate

C8H16O3 (160.10993860000002)


   

(5s,6s)-2,6-dimethyltricyclo[4.4.0.0¹,⁵]deca-2,9-diene

(5s,6s)-2,6-dimethyltricyclo[4.4.0.0¹,⁵]deca-2,9-diene

C12H16 (160.1251936)