Exact Mass: 160.12117160000003

Exact Mass Matches: 160.12117160000003

Found 500 metabolites which its exact mass value is equals to given mass value 160.12117160000003, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Tryptamine

2-(1H-indol-3-yl)ethan-1-amine

C10H12N2 (160.1000432)


Tryptamine, also known as TrpN, is a catabolite of tryptophan converted by the gut microbiota. After absorption through the intestinal epithelium, tryptophan catabolites enter the bloodstream and are later excreted in the urine. Both Clostridium sp. and Ruminococcus sp. have been found to convert tryptophan into tryptamine (PMID: 30120222). Tryptamine is a monoamine compound that is a common precursor molecule to many hormones and neurotransmitters. Biosynthesis generally proceeds from the amino acid tryptophan, with tryptamine acting as a precursor for other compounds. Substitutions to the tryptamine molecule give rise to a group of compounds collectively known as tryptamines. The most well-known tryptamines are serotonin, an important neurotransmitter, and melatonin, a hormone involved in regulating the sleep-wake cycle. Tryptamine has been detected, but not quantified in, several different foods, such as onion-family vegetables, acerola, Japanese walnuts, custard apples, and green zucchinis. This could make tryptamine a potential biomarker for the consumption of these foods. Tryptamine is an aminoalkylindole consisting of indole having a 2-aminoethyl group at the 3-position. It has a role as a human metabolite, a plant metabolite and a mouse metabolite. It is an aminoalkylindole, an indole alkaloid, an aralkylamino compound and a member of tryptamines. It is a conjugate base of a tryptaminium. Tryptamine is a natural product found in Mus musculus, Prosopis glandulosa, and other organisms with data available. Occurs widely in plants, especies Lens esculenta (lentil) and the fungi Coprinus micaceus (glistening ink cap) An aminoalkylindole consisting of indole having a 2-aminoethyl group at the 3-position. KEIO_ID T031

   

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.

   

D-Alanyl-D-alanine

(2R)-2-[(2R)-2-aminopropanamido]propanoic acid

C6H12N2O3 (160.0847882)


The ATP-dependent carboxylate-amine/thiol ligase superfamily is known to contain enzymes catalyzing the formation of various types of peptide, one of which is d-alanyl-d-alanine.(PMID: 16030213). The glycopeptide antibiotic vancomycin acts by binding to the D-alanyl-D-alanine terminus of the cell wall precursor lipid II in the cytoplasmic membrane.(PMID: 17418637). D-alanine-D-alanine ligase from Thermotoga maritima ATCC 43589 (TmDdl) was a useful biocatalyst for synthesizing D-amino acid dipeptides.D-Alanine-D-alanine ligase (Ddl) catalyzes the biosynthesis of an essential bacterial peptidoglycan precursor D-alanyl-D-alanine and it represents an important target for development of new antibacterial drugs. (PMID: 17267218). D-Alanyl-D-alanine is a microbial metabolite. Alanyl-alanine, also known as ala-ala or A-a dipeptide, is a member of the class of compounds known as dipeptides. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Alanyl-alanine is soluble (in water) and a weakly acidic compound (based on its pKa). Alanyl-alanine can be found in chives, which makes alanyl-alanine a potential biomarker for the consumption of this food product. Alanyl-alanine can be found primarily in feces. Alanyl-alanine exists in all living organisms, ranging from bacteria to humans. Acquisition and generation of the data is financially supported in part by CREST/JST. D-Ala-D-Ala constitutes the terminus of the peptide part of the peptidoglycan monomer unit and is involved in the transpeptidation reaction as the substrate. D-Ala-D-Ala is catalyzed by D-Alanine-D-Alanine ligase. D-Ala-D-Ala is a bacterial endogenous metabolite[1][2].

   

Daminozide

3-(N,N-dimethylhydrazinecarbonyl)propanoic acid

C6H12N2O3 (160.0847882)


D006133 - Growth Substances > D010937 - Plant Growth Regulators CONFIDENCE standard compound; INTERNAL_ID 2629 D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals KEIO_ID D173 Daminozide, a plant growth regulator, is a selective inhibitor of the human KDM2/7 histone demethylases, with IC50s of 0.55, 1.5 and 2.1 μM for PHF8, KDM2A, and KIAA1718, respectively. Daminozide has >100-fold selectivity for KDM2/7 subfamily versus other demethylase subfamily members tested[1][2].

   

Anatabine

(2S)-1,2,3,6-tetrahydro-2,3-bipyridine

C10H12N2 (160.1000432)


Anatabine is one of the minor alkaloids found in plants in the family Solanaceae, which includes the tobacco plant and tomato. Commercial tobacco plants typically produce alkaloids at levels between 2\\\% and 4\\\% of total dry weight, with nicotine accounting for about 90\\\% of the total alkaloid content, and the related compounds anabatine, nornicotine, and anabasine making up nearly all the rest. These compounds are thought to be biologically active, and part of plants natural defense system against insects. It belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl group. Anatabine is tobacco alkaloid in urine of smokers and smokeless tobacco users (PMID: 8245163). This Nicotine-related alkaloid is an inhibitor of human cytochrome P-450 2A6 (PMID:14757175). Anatabine is tobacco alkaloid in urine of smokers and smokeless tobacco users (PubMed ID 8245163 ); this Nicotine-related alkaloid is an inhibitor of human cytochrome P-450 2A6 (PubMed ID 14757175 ) [HMDB] (R,S)-Anatabine is a a minor tobacco alkaloid found in the Solanaceae family of plants that can be used as a specific marker for the detection of tobacco use[1].

   

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.

   

Tolazoline

Ciba vision brand OF tolazoline hydrochloride

C10H12N2 (160.1000432)


A vasodilator that apparently has direct actions on blood vessels and also increases cardiac output. Tolazoline can interact to some degree with histamine, adrenergic, and cholinergic receptors, but the mechanisms of its therapeutic effects are not clear. It is used in treatment of persistent pulmonary hypertension of the newborn. [PubChem] M - Musculo-skeletal system > M02 - Topical products for joint and muscular pain > M02A - Topical products for joint and muscular pain C - Cardiovascular system > C04 - Peripheral vasodilators > C04A - Peripheral vasodilators > C04AB - Imidazoline derivatives C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents

   

2-(1H-Indol-2-yl)ethanamine

2-(1-H-benzimidazol-2-yl)-ethylamine

C10H12N2 (160.1000432)


   

3-Carboxy-N,N,N-trimethyl-2-oxo-1-propanaminium

3-Carboxy-N,N,N-trimethyl-2-oxo-1-propanaminium

C7H14NO3+ (160.0973634)


   

N5-methylglutamine

2-amino-5-(methylamino)-5-oxopentanoic acid

C6H12N2O3 (160.0847882)


   

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-Acetamido-2-aminobutanoic acid

(2S)-4-(acetylamino)-2-aminobutanoic acid

C6H12N2O3 (160.0847882)


4-Acetamido-2-aminobutanoic acid is found in sugar bee

   

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.

   

Anabaseine

3-(3,4,5,6-tetrahydropyridin-2-yl)pyridine

C10H12N2 (160.1000432)


D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals Anabaseine is a non-selective nicotinic agonist. Anabaseine stimulates all AChRs, preferentially stimulates skeletal muscle and brain α7 subtypes[1][2]. Anabaseine is also a weak partial agonist at α4β2 nAChRs[3].

   

SCHEMBL648868

(2S)-2-acetamido-4-aminobutanoic acid

C6H12N2O3 (160.0847882)


   

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]

   

N-Methylmyosmine

3-(4,5-DIHYDRO-1-METHYL-1H-PYRROL-2-YL)PYRIDINE

C10H12N2 (160.1000432)


   

N-Norgramine

(1H-indol-3-yl)-N-Methylmethanamine

C10H12N2 (160.1000432)


N-Norgramine is found in cereals and cereal products. N-Norgramine is detected in Hordeum vulgare (barley). Detected in Hordeum vulgare (barley). N-Norgramine is found in barley and cereals and cereal products.

   
   

Tolazoline

Tolazoline

C10H12N2 (160.1000432)


M - Musculo-skeletal system > M02 - Topical products for joint and muscular pain > M02A - Topical products for joint and muscular pain C - Cardiovascular system > C04 - Peripheral vasodilators > C04A - Peripheral vasodilators > C04AB - Imidazoline derivatives C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents KEIO_ID T030

   

1,2,3,6-Tetrahydro-2,3-bipyridine

1,2,3,6-Tetrahydro-2,3-bipyridine

C10H12N2 (160.1000432)


(R,S)-Anatabine is a a minor tobacco alkaloid found in the Solanaceae family of plants that can be used as a specific marker for the detection of tobacco use[1].

   

Daminozide

2,2-Dimethylhydrazid kyseliny jantarove [Czech]

C6H12N2O3 (160.0847882)


Succinic acid 2,2-dimethylhydrazide appears as odorless white crystals or powder. (NTP, 1992) Daminozide is a straight-chain fatty acid. Daminozide — also known as Alar, Kylar, B-NINE, DMASA, SADH, or B 995 — is a plant growth regulator, a chemical sprayed on fruit to regulate their growth, make their harvest easier, and keep apples from falling off the trees before they are ripe. This makes sure they are red and firm for storage. Alar was first approved for use in the U.S. in 1963, it was primarily used on apples until 1989 when it was voluntarily withdrawn by the manufacturer after the U.S. Environmental Protection Agency proposed banning it based on unacceptably high cancer risks to consumers. D006133 - Growth Substances > D010937 - Plant Growth Regulators D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals Daminozide, a plant growth regulator, is a selective inhibitor of the human KDM2/7 histone demethylases, with IC50s of 0.55, 1.5 and 2.1 μM for PHF8, KDM2A, and KIAA1718, respectively. Daminozide has >100-fold selectivity for KDM2/7 subfamily versus other demethylase subfamily members tested[1][2].

   

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.

   

2-Methyl-4-propyl-1,3-oxathiane

2-Methyl-4-propyl-(2R,4S)-rel-1,3-oxathiane

C8H16OS (160.0921806)


(+)-cis-2-Methyl-4-propyl-1,3-oxathiane is found in fruits. (+)-cis-2-Methyl-4-propyl-1,3-oxathiane is a powerful odorant and flavourant characteristic of passion fruit and similar fruit Powerful odorant and flavourant characteristic of passion fruit and similar fruits. (+)-cis-2-Methyl-4-propyl-1,3-oxathiane 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.

   

Alanylalanine

(2S)-2-[(2S)-2-aminopropanamido]propanoic acid

C6H12N2O3 (160.0847882)


Alanyl-alanine, also known as ala-ala or A-a dipeptide, is a member of the class of compounds known as dipeptides. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Alanyl-alanine is soluble (in water) and a weakly acidic compound (based on its pKa). Alanyl-alanine can be found in chives, which makes alanyl-alanine a potential biomarker for the consumption of this food product. Alanyl-alanine can be found primarily in feces. Alanyl-alanine exists in all living organisms, ranging from bacteria to humans. Alanylalanine is a dipeptide composed of two alanine residues. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.

   

3-Methyl-4-phenyl-3-buten-2-one

(3E)-3-Methyl-4-phenyl-3-buten-2-one

C11H12O (160.08881019999998)


(E)-3-Methyl-4-phenyl-3-buten-2-one is a flavouring ingredien It is used as a food additive .

   

(+/-)-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 .

   

(+/-)-3-(Methylthio)heptanal

(+/-)-3-(Methylthio)heptanal

C8H16OS (160.0921806)


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

   

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

   

2-Phenyl-4-pentenal

alpha-2-Propen-1-yl-benzeneacetaldehyde

C11H12O (160.08881019999998)


(±)-2-Phenyl-4-pentenal is a flavouring ingredient. It is used as a food additive

   

3-Phenyl-4-pentenal

3-Phenyl-3-vinylpropionaldehyde

C11H12O (160.08881019999998)


3-Phenyl-4-pentenal is a flavouring ingredient. Flavouring ingredient

   

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)

   

(S)-Methyl 2,5-diamino-5-oxopentanoate

(S)-Methyl 2,5-diamino-5-oxopentanoic acid

C6H12N2O3 (160.0847882)


   

1-Nonanethiol

nonane-1-thiol

C9H20S (160.128564)


   
   

d-Alanyl-l-alanine

2-[(2-amino-1-hydroxypropylidene)amino]propanoic acid

C6H12N2O3 (160.0847882)


The ATP-dependent carboxylate-amine/thiol ligase superfamily is known to contain enzymes catalyzing the formation of various types of peptide, one of which is d-alanyl-d-alanine.(PMID: 16030213); ; The glycopeptide antibiotic vancomycin acts by binding to the D-alanyl-D-alanine terminus of the cell wall precursor lipid II in the cytoplasmic membrane.(PMID: 17418637); ; D-alanine-D-alanine ligase from Thermotoga maritima ATCC 43589 (TmDdl) was a useful biocatalyst for synthesizing D-amino acid dipeptides.D-Alanine-D-alanine ligase (Ddl) catalyzes the biosynthesis of an essential bacterial peptidoglycan precursor D-alanyl-D-alanine and it represents an important target for development of new antibacterial drugs. (PMID: 17267218). D-Alanyl-D-alanine is found in rice. D-Ala-D-Ala constitutes the terminus of the peptide part of the peptidoglycan monomer unit and is involved in the transpeptidation reaction as the substrate. D-Ala-D-Ala is catalyzed by D-Alanine-D-Alanine ligase. D-Ala-D-Ala is a bacterial endogenous metabolite[1][2].

   

2-Ethyl-6-hydroxyhexanoic acid

2-Ethyl-6-hydroxyhexanoic acid

C8H16O3 (160.10993860000002)


   

1,2,3,6-Tetrahydro-2,3'-bipyridine

3-(1,2,3,6-tetrahydropyridin-2-yl)pyridine

C10H12N2 (160.1000432)


(R,S)-Anatabine is a a minor tobacco alkaloid found in the Solanaceae family of plants that can be used as a specific marker for the detection of tobacco use[1].

   

Bis(2-dimethylaminoethyl) ether

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

C8H20N2O (160.157555)


   

4-Pentenoic acid, 2-fluoro-2-propyl-

4-Pentenoic acid, 2-fluoro-2-propyl-

C8H13FO2 (160.089953)


   

Emeriamine

3-Amino-4-(trimethylazaniumyl)butanoic acid

C7H16N2O2 (160.12117160000003)


D007004 - Hypoglycemic Agents D004791 - Enzyme Inhibitors

   

N-Nitroso(2-hydroxypropyl)(2-oxopropyl)amine

1-[(2-hydroxypropyl)(nitroso)amino]propan-2-one

C6H12N2O3 (160.0847882)


D009676 - Noxae > D002273 - Carcinogens

   

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].

   

2-amino-4-(2-aminoethoxy)but-3-enoic acid

2-amino-4-(2-aminoethoxy)but-3-enoic acid

C6H12N2O3 (160.0847882)


   

(+)-Trisnoranastreptene

(+)-Trisnoranastreptene

C12H16 (160.1251936)


   
   

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

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

C7H16N2O2 (160.12117160000003)


   
   

L-beta-homoglutamine-HCl

L-beta-homoglutamine-HCl

C6H12N2O3 (160.0847882)


   
   
   

(1-methyl-1H-indol-3-yl)methanamine

(1-methyl-1H-indol-3-yl)methanamine

C10H12N2 (160.1000432)


   
   
   

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)


   
   

1H-Pyrrolo[2,3-b]pyridine, 2-(1-methylethyl)-

1H-Pyrrolo[2,3-b]pyridine, 2-(1-methylethyl)-

C10H12N2 (160.1000432)


   
   

ethyl 3-hydroxy-3-methylpentanoate

ethyl 3-hydroxy-3-methylpentanoate

C8H16O3 (160.10993860000002)


   

allophanic acid butyl ester

allophanic acid butyl ester

C6H12N2O3 (160.0847882)


   

(+-)-Undeca-5,6-dien-8,10-diin-1-ol|(+-)-Undeca-5.6-dien-8.10-diyn-1-ol|(-)-5,6-Undecadiene-8,10-diyn-1-ol|(Ra)-undeca-5,6-diene-8,10-diyn-1-ol|Undeca-5,6-dien-8,10-diin-1-ol|undeca-5,6-diene-8,10-diyn-1-ol

(+-)-Undeca-5,6-dien-8,10-diin-1-ol|(+-)-Undeca-5.6-dien-8.10-diyn-1-ol|(-)-5,6-Undecadiene-8,10-diyn-1-ol|(Ra)-undeca-5,6-diene-8,10-diyn-1-ol|Undeca-5,6-dien-8,10-diin-1-ol|undeca-5,6-diene-8,10-diyn-1-ol

C11H12O (160.08881019999998)


   

S-Isopropyl 3-methylbutanethioate

S-Isopropyl 3-methylbutanethioate

C8H16OS (160.0921806)


   
   

Diamide-3-Hydroxy-3-methylpentanedioic acid

Diamide-3-Hydroxy-3-methylpentanedioic acid

C6H12N2O3 (160.0847882)


   
   
   
   
   

2,6-diamino-4-oxohexanoic acid

2,6-diamino-4-oxohexanoic acid

C6H12N2O3 (160.0847882)


   

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

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

C12H16 (160.1251936)


   
   

2-Propylbenzimidazole

2-Propyl-1H-benzimidazole

C10H12N2 (160.1000432)


   

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].

   

H-Ala-Ala-OH

L-Alanyl-L-alanine

C6H12N2O3 (160.0847882)


A dipeptide consisting of two L-alanine units joined by a peptide linkage. CONFIDENCE standard compound; ML_ID 46

   

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.

   

Tryptamine

5-22-10-00045 (Beilstein Handbook Reference)

C10H12N2 (160.1000432)


   
   

D-Ala-D-ala

H-D-Ala-D-Ala-OH

C6H12N2O3 (160.0847882)


D-Ala-D-Ala constitutes the terminus of the peptide part of the peptidoglycan monomer unit and is involved in the transpeptidation reaction as the substrate. D-Ala-D-Ala is catalyzed by D-Alanine-D-Alanine ligase. D-Ala-D-Ala is a bacterial endogenous metabolite[1][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].

   
   
   

Tryptamine (not validated)

Tryptamine (not validated)

C10H12N2 (160.1000432)


Annotation level-2

   
   

Asparagine ethyl ester

Asparagine ethyl ester

C6H12N2O3 (160.0847882)


   

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)


   

N-g-Acetyldiaminobutyric acid

4-Acetamido-2-aminobutanoic acid

C6H12N2O3 (160.0847882)


   

FEMA 3545

Ethyl (±)-3-hydroxyhexanoate

C8H16O3 (160.10993860000002)


   

FEMA 2734

(3E)-3-Methyl-4-phenyl-3-buten-2-one

C11H12O (160.08881019999998)


   

Oxane

2-Methyl-4-propyl-(2R,4S)-rel-1,3-oxathiane

C8H16OS (160.0921806)


   

ethyl 2-hydroxy-3-methylpentanoate

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

C8H16O3 (160.10993860000002)


   

3-(Methylthio)heptanal

(+/-)-3-(Methylthio)heptanal

C8H16OS (160.0921806)


   

Kayaester O

Octaneperoxoic acid, 1,1-dimethylethyl ester

C8H16O3 (160.10993860000002)


   

FEMA 3519

alpha-2-Propen-1-yl-benzeneacetaldehyde

C11H12O (160.08881019999998)


   

xi-1-Ethoxy-1-pentyloxyethane

xi-1-Ethoxy-1-pentyloxyethane

C9H20O2 (160.14632200000003)


   
   

N-Norgramine

(1H-indol-3-ylmethyl)(methyl)amine

C10H12N2 (160.1000432)


   

FEMA 3318

3-Phenyl-3-vinylpropionaldehyde

C11H12O (160.08881019999998)


   

FEMA 2541

Heptaldehyde dimethyl acetal

C9H20O2 (160.14632200000003)


   

FA 8:0;O

2-N-Propyl-3-hydroxypentanoic acid

C8H16O3 (160.10993860000002)


   

FOH 11:6

5,6(R)-undecadien-8,10-diyn-1-ol

C11H12O (160.08881019999998)


   

SFE 8:0;O

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

C8H16O3 (160.10993860000002)


   

2-METHYLENE-3-PHENYL-BUTYRALDEHYDE

2-METHYLENE-3-PHENYL-BUTYRALDEHYDE

C11H12O (160.08881019999998)


   

3-(1,2,3,6-tetrahydropyridin-4-yl)pyridine

3-(1,2,3,6-tetrahydropyridin-4-yl)pyridine

C10H12N2 (160.1000432)


   

Thiourea,N-(2,2-dimethylpropyl)-N-methyl-

Thiourea,N-(2,2-dimethylpropyl)-N-methyl-

C7H16N2S (160.1034136)


   
   

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

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

C12H16 (160.1251936)


   
   

1-butyl-3-ethylthiourea

1-butyl-3-ethylthiourea

C7H16N2S (160.1034136)


   

Ethanone, 1-[4-(1-methylethenyl)phenyl]- (9CI)

Ethanone, 1-[4-(1-methylethenyl)phenyl]- (9CI)

C11H12O (160.08881019999998)


   

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

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

C8H16O3 (160.10993860000002)


   
   
   
   

N-(2-Cyanoethyl)-N-methylaniline

N-(2-Cyanoethyl)-N-methylaniline

C10H12N2 (160.1000432)


   
   

3-METHYL-2-PYRIDIN-2-YL-BUTYRONITRILE

3-METHYL-2-PYRIDIN-2-YL-BUTYRONITRILE

C10H12N2 (160.1000432)


   
   

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)


   

(2-Methyl-1H-Indol-5-Yl)Methylamine

(2-Methyl-1H-Indol-5-Yl)Methylamine

C10H12N2 (160.1000432)


   

(1-methylindol-7-yl)methanamine

(1-methylindol-7-yl)methanamine

C10H12N2 (160.1000432)


   
   

9-chloronon-1-ene

9-chloronon-1-ene

C9H17Cl (160.1018712)


   

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)


   

Hexanedioic acid,1-hydrazide

Hexanedioic acid,1-hydrazide

C6H12N2O3 (160.0847882)


   

2-(4-Ethynylphenyl)-2-propanol

2-(4-Ethynylphenyl)-2-propanol

C11H12O (160.08881019999998)


   
   

Thiourea,N-methyl-N-pentyl-

Thiourea,N-methyl-N-pentyl-

C7H16N2S (160.1034136)


   

4-(Heptafluoropropylsulfonyl)chlorobenzene

4-(Heptafluoropropylsulfonyl)chlorobenzene

C12H16 (160.1251936)


   
   

1,2,3,4-Tetrahydro-1-methylnaphthalen-2-one

1,2,3,4-Tetrahydro-1-methylnaphthalen-2-one

C11H12O (160.08881019999998)


   
   
   

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)


   
   

(1-Methyl-1H-indol-6-yl)methylamine

(1-Methyl-1H-indol-6-yl)methylamine

C10H12N2 (160.1000432)


   

1,2,6-TRIMETHYL-1H-BENZO[D]IMIDAZOLE

1,2,6-TRIMETHYL-1H-BENZO[D]IMIDAZOLE

C10H12N2 (160.1000432)


   

1-Ethyl-2-methyl-1H-benzimidazole

1-Ethyl-2-methyl-1H-benzimidazole

C10H12N2 (160.1000432)


   

Methyl octyl sulfide

Methyl n-octyl sulfide

C9H20S (160.128564)


   

5-methyl-3,4-dihydro-1H-naphthalen-2-one

5-methyl-3,4-dihydro-1H-naphthalen-2-one

C11H12O (160.08881019999998)


   
   

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)


   

METHYL 2-(TRIMETHYLSILYL)PROPIONATE

METHYL 2-(TRIMETHYLSILYL)PROPIONATE

C7H16O2Si (160.09195160000002)


   

TRIMETHYLSILYL BUTYRATE

Butanoic acid, trimethylsilyl ester

C7H16O2Si (160.09195160000002)


   

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)


   

1,3-Diisopropylthiourea

1,3-Diisopropylthiourea

C7H16N2S (160.1034136)


   

3-(benzylamino)propionitrile

3-(benzylamino)propionitrile

C10H12N2 (160.1000432)


   

Bis(trimethylsilyl)methane

Methylenebis(trimethylsilane)

C7H20Si2 (160.110348)


   

fluorodiisobutylaluminium

fluorodiisobutylaluminium

C8H18AlF (160.120787)


   
   

4-(2-Amino-2-propanyl)benzonitrile

4-(2-Amino-2-propanyl)benzonitrile

C10H12N2 (160.1000432)


   

1H-Indol-5-amine,1-ethyl-(9CI)

1H-Indol-5-amine,1-ethyl-(9CI)

C10H12N2 (160.1000432)


   
   
   

(1-METHYL-1H-IMIDAZOL-2-YL)-(3-NITRO-PHENYL)-METHANONE

(1-METHYL-1H-IMIDAZOL-2-YL)-(3-NITRO-PHENYL)-METHANONE

C10H12N2 (160.1000432)


   

Trimethylsilyl isobutyrate

Trimethylsilyl 2-methylpropanoate

C7H16O2Si (160.09195160000002)


   

6-Methoxy-1,2-dihydronaphthalene

6-Methoxy-1,2-dihydronaphthalene

C11H12O (160.08881019999998)


   
   

3-Methoxy-3-methylbutyl Acetate

3-Methoxy-3-methylbutyl Acetate

C8H16O3 (160.10993860000002)


   

2-(4-Aminophenyl)-2-methylpropanonitril

2-(4-Aminophenyl)-2-methylpropanonitril

C10H12N2 (160.1000432)


   

Ethanone,1-(4-cyclopropylphenyl)-

Ethanone,1-(4-cyclopropylphenyl)-

C11H12O (160.08881019999998)


   
   

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)


   

1,2-DIMETHYL-1H-INDOL-5-AMINE

1,2-DIMETHYL-1H-INDOL-5-AMINE

C10H12N2 (160.1000432)


   

(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)


   

5,6,7,8-Tetrahydro-2-naphthalenecarboxaldehyde

5,6,7,8-Tetrahydro-2-naphthalenecarboxaldehyde

C11H12O (160.08881019999998)


   

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

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

C12H16 (160.1251936)


   

Benzofuran,2-(1-methylethyl)-

Benzofuran,2-(1-methylethyl)-

C11H12O (160.08881019999998)


   

5,6,7,8-Tetrahydronaphthalene-1-carbaldehyde

5,6,7,8-Tetrahydronaphthalene-1-carbaldehyde

C11H12O (160.08881019999998)


   

2,5,6-Trimethyl-1H-benzimidazole

2,5,6-Trimethyl-1H-benzimidazole

C10H12N2 (160.1000432)


   

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.

   

(+)-(R)-3-phenyl-cyclopentanone

(+)-(R)-3-phenyl-cyclopentanone

C11H12O (160.08881019999998)


   

Furan,2,5-diethoxytetrahydro-

Furan,2,5-diethoxytetrahydro-

C8H16O3 (160.10993860000002)


   
   

Diisopropyl(ethoxy)silane

Diisopropyl(ethoxy)silane

C8H20OSi (160.128335)


   
   
   

1,3-Dipropylthiourea

1,3-Dipropylthiourea

C7H16N2S (160.1034136)


   
   

3-thiomorpholin-4-ylpropan-1-amine

3-thiomorpholin-4-ylpropan-1-amine

C7H16N2S (160.1034136)


   

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

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

C8H16O3 (160.10993860000002)


   

2-Propyl-1H-pyrrolo[2,3-c]pyridine

2-Propyl-1H-pyrrolo[2,3-c]pyridine

C10H12N2 (160.1000432)


   

2-(2-Aminophenyl)-2-methylpropanenitrile

2-(2-Aminophenyl)-2-methylpropanenitrile

C10H12N2 (160.1000432)


   

1H-Indazole,3-ethyl-5-methyl-

1H-Indazole,3-ethyl-5-methyl-

C10H12N2 (160.1000432)


   

1H-Indazole,3,6,7-trimethyl-

1H-Indazole,3,6,7-trimethyl-

C10H12N2 (160.1000432)


   
   

1,1-Dimethyltetralin

1,1-Dimethyltetralin

C12H16 (160.1251936)


   

3,4-dihydro-6-methyl naphthalenone

3,4-dihydro-6-methyl naphthalenone

C11H12O (160.08881019999998)


   
   

2-ETHYLTETRALIN

2-ETHYLTETRALIN

C12H16 (160.1251936)


   

1-methoxy-1-trimethylsilyloxypropene

1-methoxy-1-trimethylsilyloxypropene

C7H16O2Si (160.09195160000002)


   

1,4-Dimethyltetralin

1,4-Dimethyltetralin

C12H16 (160.1251936)


   

2-Amino-5-isopropylbenzonitrile

2-Amino-5-isopropylbenzonitrile

C10H12N2 (160.1000432)


   

1-(3-Cyclopropylphenyl)ethanone

1-(3-Cyclopropylphenyl)ethanone

C11H12O (160.08881019999998)


   
   

2-tert-butylisonicotinonitrile

2-tert-butylisonicotinonitrile

C10H12N2 (160.1000432)


   
   

1H-Benzimidazole,1,5,6-trimethyl-(9CI)

1H-Benzimidazole,1,5,6-trimethyl-(9CI)

C10H12N2 (160.1000432)


   

1-(1-phenylcyclopropyl)ethanone

1-(1-phenylcyclopropyl)ethanone

C11H12O (160.08881019999998)


   
   

Benzeneacetonitrile, a-(dimethylamino)-

Benzeneacetonitrile, a-(dimethylamino)-

C10H12N2 (160.1000432)


   

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)


   
   

2-Methyl-4-phenyl-3-butyn-2-ol

2-Methyl-4-phenyl-3-butyn-2-ol

C11H12O (160.08881019999998)


   

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

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

C8H16O3 (160.10993860000002)


   

1H-BENZIMIDAZOLE, 2-ETHYL-6-METHYL-

1H-BENZIMIDAZOLE, 2-ETHYL-6-METHYL-

C10H12N2 (160.1000432)


   

p-Isobutylstyrene

p-Isobutylstyrene

C12H16 (160.1251936)


   

4,5-DIHYDRO-1H-BENZO[D]AZEPIN-2-AMINE

4,5-DIHYDRO-1H-BENZO[D]AZEPIN-2-AMINE

C10H12N2 (160.1000432)


   

2-[(dimethylamino)methyl]benzonitrile

2-[(dimethylamino)methyl]benzonitrile

C10H12N2 (160.1000432)


   

N-Methyl-N-(4-Methylphenyl)aminoacetonitrile

N-Methyl-N-(4-Methylphenyl)aminoacetonitrile

C10H12N2 (160.1000432)


   

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)


   
   

2-(1H-Indol-5-yl)ethanamine

2-(1H-Indol-5-yl)ethanamine

C10H12N2 (160.1000432)


   

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)


   

1-(1H-INDOL-3-YL)-ETHYLAMINE

1-(1H-INDOL-3-YL)-ETHYLAMINE

C10H12N2 (160.1000432)


   

(1-METHYL-1H-INDOL-2-YL)METHANAMINE

(1-METHYL-1H-INDOL-2-YL)METHANAMINE

C10H12N2 (160.1000432)


   

2-(3-Aminophenyl)-2-methylpropanenitrile

2-(3-Aminophenyl)-2-methylpropanenitrile

C10H12N2 (160.1000432)


   

acenaphthylene d8

acenaphthylene d8

C12D8 (160.112814224)


   

3-P-TOLYLAMINO-PROPIONITRILE

3-P-TOLYLAMINO-PROPIONITRILE

C10H12N2 (160.1000432)


   

6,7-Dimethyl-2,3-dihydro-1H-inden-1-one

6,7-Dimethyl-2,3-dihydro-1H-inden-1-one

C11H12O (160.08881019999998)


   

4-METHOXY-1,2-DIHYDRO-NAPHTHALENE

4-METHOXY-1,2-DIHYDRO-NAPHTHALENE

C11H12O (160.08881019999998)


   

2-propyl-1H-pyrrolo[2,3-b]pyridine

2-propyl-1H-pyrrolo[2,3-b]pyridine

C10H12N2 (160.1000432)


   
   

(R)-1-Boc-Pyrrolidine-1,3-dicarboxylate

(R)-1-Boc-Pyrrolidine-1,3-dicarboxylate

C11H12O (160.08881019999998)


   

(4-METHOXYBIPHENYL-4-YL)ACETICACID

(4-METHOXYBIPHENYL-4-YL)ACETICACID

C11H12O (160.08881019999998)


   

Ethoxytriethylsilane

Ethoxytriethylsilane

C8H20OSi (160.128335)


   
   

tert-Butyl 4-hydroxybutanoate

tert-Butyl 4-hydroxybutanoate

C8H16O3 (160.10993860000002)


   

2-(Indol-1-yl)ethylamine

2-(Indol-1-yl)ethylamine

C10H12N2 (160.1000432)


   

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

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

C9H20O2 (160.14632200000003)


   

1-(1H-indol-5-yl)ethanamine

1-(1H-indol-5-yl)ethanamine

C10H12N2 (160.1000432)


   

3-(Aminomethyl)-N,N-dimethyltetrahydro-3-thiophenamine

3-(Aminomethyl)-N,N-dimethyltetrahydro-3-thiophenamine

C7H16N2S (160.1034136)


   
   

Thiourea,N,N,N-triethyl-

Thiourea,N,N,N-triethyl-

C7H16N2S (160.1034136)


   

1H-Benzimidazole,1,2,4-trimethyl-(9CI)

1H-Benzimidazole,1,2,4-trimethyl-(9CI)

C10H12N2 (160.1000432)


   

TRIISOPROPYLPHOSPHINE

TRIISOPROPYLPHOSPHINE

C9H21P (160.1380796)


   

3-Ethylaminomethyl-benzonitrile

3-Ethylaminomethyl-benzonitrile

C10H12N2 (160.1000432)


   

2,3-Dimethyl-1H-indol-7-amine

2,3-Dimethyl-1H-indol-7-amine

C10H12N2 (160.1000432)


   
   

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)


   

1-propylbenzimidazole

1-propylbenzimidazole

C10H12N2 (160.1000432)


   

5-Methoxy-1,4-dihydronaphthalene

5-Methoxy-1,4-dihydronaphthalene

C11H12O (160.08881019999998)


   

1H-Benzimidazole,2-ethyl-1-methyl-(9CI)

1H-Benzimidazole,2-ethyl-1-methyl-(9CI)

C10H12N2 (160.1000432)


   

Tetracyclo[3.2.0.02,7.04,6]heptane-3-carbonitrile, 3-(dimethylamino)- (9CI)

Tetracyclo[3.2.0.02,7.04,6]heptane-3-carbonitrile, 3-(dimethylamino)- (9CI)

C10H12N2 (160.1000432)


   

2-(N,3-dimethylanilino)acetonitrile

2-(N,3-dimethylanilino)acetonitrile

C10H12N2 (160.1000432)


   

2-Isopropylpyrazolo[1,5-a]pyridine

2-Isopropylpyrazolo[1,5-a]pyridine

C10H12N2 (160.1000432)


   
   

tert-Butyl (3S)-3-hydroxybutanoate

tert-Butyl (3S)-3-hydroxybutanoate

C8H16O3 (160.10993860000002)


   
   
   
   
   

2-methyl-2-(4-methylpyridin-2-yl)propanenitrile

2-methyl-2-(4-methylpyridin-2-yl)propanenitrile

C10H12N2 (160.1000432)


   

3-Methyl-1,2,3,4-tetrahydronaphthalene-1-one

3-Methyl-1,2,3,4-tetrahydronaphthalene-1-one

C11H12O (160.08881019999998)


   

3-Pyridinecarbonitrile,2-methyl-4-(1-methylethyl)-(9CI)

3-Pyridinecarbonitrile,2-methyl-4-(1-methylethyl)-(9CI)

C10H12N2 (160.1000432)


   
   

2-(3-(dimethylamino)phenyl)acetonitrile

2-(3-(dimethylamino)phenyl)acetonitrile

C10H12N2 (160.1000432)


   
   

Ethyl 2-hydroxy-4-methylvalerate

ethyl 2-hydroxy-4-methyl valerate

C8H16O3 (160.10993860000002)


   

L-2-amino-4-guanidinobutyric acid hydrochloride

L-2-amino-4-guanidinobutyric acid hydrochloride

C5H12N4O2 (160.0960212)


   
   

1-(1-METHYL-1H-INDOL-4-YL)METHYLAMINE 97

1-(1-METHYL-1H-INDOL-4-YL)METHYLAMINE 97

C10H12N2 (160.1000432)


   

3,4-dihydro-8-methyl naphthalenone

3,4-dihydro-8-methyl naphthalenone

C11H12O (160.08881019999998)


   

Cyclohexylbenzene

Cyclohexylbenzene

C12H16 (160.1251936)


   

(2-(METHYLSULFONYL)PHENYL)METHANAMINE

(2-(METHYLSULFONYL)PHENYL)METHANAMINE

C8H16O3 (160.10993860000002)


   

5-Ethyl-2,3-dihydro-1H-inden-1-one

5-Ethyl-2,3-dihydro-1H-inden-1-one

C11H12O (160.08881019999998)


   

2-(1H-Indol-4-yl)ethanamine

2-(1H-Indol-4-yl)ethanamine

C10H12N2 (160.1000432)


   

2-(1H-indol-7-yl)ethanamine

2-(1H-indol-7-yl)ethanamine

C10H12N2 (160.1000432)


   
   
   

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)


   
   

4-((Dimethylamino)methyl)benzonitrile

4-((Dimethylamino)methyl)benzonitrile

C10H12N2 (160.1000432)


   

1-Eth-1-ynyl-4-propoxybenzene

1-Eth-1-ynyl-4-propoxybenzene

C11H12O (160.08881019999998)


   

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)


   
   

4-amino-3-ethyl-5-methylbenzonitrile

4-amino-3-ethyl-5-methylbenzonitrile

C10H12N2 (160.1000432)


   
   
   

1H-Indol-5-amine,2,3-dimethyl-

1H-Indol-5-amine,2,3-dimethyl-

C10H12N2 (160.1000432)


   

Amyl lactate

Propanoic acid,2-hydroxy-, pentyl ester

C8H16O3 (160.10993860000002)


   

Propanenitrile,2-methyl-2-(phenylamino)-

Propanenitrile,2-methyl-2-(phenylamino)-

C10H12N2 (160.1000432)


   

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

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

C7H16N2O2 (160.12117160000003)


   
   

1H-Indazole,3-(1-methylethyl)-(9CI)

1H-Indazole,3-(1-methylethyl)-(9CI)

C10H12N2 (160.1000432)


   

Tripropylphosphine

Tripropylphosphine

C9H21P (160.1380796)


   

1H-1,5-Benzodiazepine,2,3-dihydro-1-methyl-(9CI)

1H-1,5-Benzodiazepine,2,3-dihydro-1-methyl-(9CI)

C10H12N2 (160.1000432)


   

Isoindazole,1-ethyl-3-methyl- (2CI)

Isoindazole,1-ethyl-3-methyl- (2CI)

C10H12N2 (160.1000432)


   

6-(2-Methyl-2-propanyl)nicotinonitrile

6-(2-Methyl-2-propanyl)nicotinonitrile

C10H12N2 (160.1000432)


   

1H-Benzimidazole,2,4,5-trimethyl-(9CI)

1H-Benzimidazole,2,4,5-trimethyl-(9CI)

C10H12N2 (160.1000432)


   

di-t-butylmethylphosphine

di-t-butylmethylphosphine

C9H21P (160.1380796)


   

borane-di(tert-butyl)phosphine complex

borane-di(tert-butyl)phosphine complex

C8H22BP (160.1552092)


   

N-cyanoethyl-m-toluidine

N-cyanoethyl-m-toluidine

C10H12N2 (160.1000432)


   
   
   

2-amino-3,5,6-trimethylbenzonitrile

2-amino-3,5,6-trimethylbenzonitrile

C10H12N2 (160.1000432)


   

(5-METHYL-2-PHENYL-1H-IMIDAZOL-4-YL)-ACETONITRILE

(5-METHYL-2-PHENYL-1H-IMIDAZOL-4-YL)-ACETONITRILE

C10H12N2 (160.1000432)


   

ISOBUTYRIC ACID 2-ETHOXYETHYL ESTER

ISOBUTYRIC ACID 2-ETHOXYETHYL ESTER

C8H16O3 (160.10993860000002)


   

5,6,8,9-Tetrahydro-7H-benzocyclohepten-7-one

5,6,8,9-Tetrahydro-7H-benzocyclohepten-7-one

C11H12O (160.08881019999998)


   

2-(3,4,5,6-Tetrahydropyridin-2-yl)pyridine

2-(3,4,5,6-Tetrahydropyridin-2-yl)pyridine

C10H12N2 (160.1000432)


   
   
   

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)


   

4-Pentenoic acid, 2-fluoro-2-propyl-

4-Pentenoic acid, 2-fluoro-2-propyl-

C8H13FO2 (160.089953)


   

Trimethyl(4-carboxybutyl)aminium

Trimethyl(4-carboxybutyl)aminium

C8H18NO2+ (160.1337468)


   

3-Methyl-4-phenyl-3-buten-2-one

(3E)-3-Methyl-4-phenyl-3-buten-2-one

C11H12O (160.08881019999998)


   

Guanidine, N-butyl-N-nitro-

Guanidine, N-butyl-N-nitro-

C5H12N4O2 (160.0960212)


   

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)


   

(1S,3S)-3-butylthiolane 1-oxide

(1S,3S)-3-butylthiolane 1-oxide

C8H16OS (160.0921806)


   

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

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

C6H15BNO3+ (160.11449299999998)


   

Artonil

1H-Imidazole, 4,5-dihydro-2-(phenylmethyl)- (9CI)

C10H12N2 (160.1000432)


M - Musculo-skeletal system > M02 - Topical products for joint and muscular pain > M02A - Topical products for joint and muscular pain C - Cardiovascular system > C04 - Peripheral vasodilators > C04A - Peripheral vasodilators > C04AB - Imidazoline derivatives C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents

   

42968-14-9

2-07-00-00298 (Beilstein Handbook Reference)

C11H12O (160.08881019999998)


   

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)


   

(2S,4R)-4-hydroxy-1,1-dimethylpyrrolidin-1-ium-2-carboxylic acid

(2S,4R)-4-hydroxy-1,1-dimethylpyrrolidin-1-ium-2-carboxylic acid

C7H14NO3+ (160.0973634)


   

(2S,4S)-2-carboxy-4-hydroxy-1,1-dimethylpyrrolidinium

(2S,4S)-2-carboxy-4-hydroxy-1,1-dimethylpyrrolidinium

C7H14NO3+ (160.0973634)


   

8-Azoniabicyclo[3.2.1]octane-1,2,3-triol

8-Azoniabicyclo[3.2.1]octane-1,2,3-triol

C7H14NO3+ (160.0973634)


   

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)


   

(2R,3S)-3-Hydroxy-1,1-dimethylpyrrolidin-1-ium-2-carboxylic acid

(2R,3S)-3-Hydroxy-1,1-dimethylpyrrolidin-1-ium-2-carboxylic acid

C7H14NO3+ (160.0973634)


   

2-(Trimethylaminio)-3-methylbutanoate

2-(Trimethylaminio)-3-methylbutanoate

C8H18NO2+ (160.1337468)


   

(2R)-4-Hydroxy-1,1-dimethylpyrrolidin-1-ium-2-carboxylic acid

(2R)-4-Hydroxy-1,1-dimethylpyrrolidin-1-ium-2-carboxylic acid

C7H14NO3+ (160.0973634)


   

2-isopropyl-1H-benzo[d]imidazole

2-isopropyl-1H-benzo[d]imidazole

C10H12N2 (160.1000432)


   

(1-Methyl-1H-indol-5-yl)methanamine

(1-Methyl-1H-indol-5-yl)methanamine

C10H12N2 (160.1000432)


   

(4Z)-2-methyl-4-(2-methylprop-2-enylidene)cyclohexa-2,5-dien-1-one

(4Z)-2-methyl-4-(2-methylprop-2-enylidene)cyclohexa-2,5-dien-1-one

C11H12O (160.08881019999998)


   

hexaamminenickel(II)

hexaamminenickel(II)

H18N6Ni+2 (160.0946338)


   

Acetyl-methylcholine

Acetyl-methylcholine

C8H18NO2+ (160.1337468)


   

2-Acetyloxyethyl-ethyl-dimethylammonium

2-Acetyloxyethyl-ethyl-dimethylammonium

C8H18NO2+ (160.1337468)


   

(3R,4R)-4-hydroxy-1,1-dimethyl-3-pyrrolidin-1-iumcarboxylic acid

(3R,4R)-4-hydroxy-1,1-dimethyl-3-pyrrolidin-1-iumcarboxylic acid

C7H14NO3+ (160.0973634)


   

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)


   

(2S)-3-hydroxy-1,1-dimethylpyrrolidin-1-ium-2-carboxylic acid

(2S)-3-hydroxy-1,1-dimethylpyrrolidin-1-ium-2-carboxylic acid

C7H14NO3+ (160.0973634)


   

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)


   

2-Butene-1,4-diol, TMS derivative

2-Butene-1,4-diol, TMS derivative

C7H16O2Si (160.09195160000002)


   

4-Cyano-4-(2-cyanoethyl)cyclohexene

4-Cyano-4-(2-cyanoethyl)cyclohexene

C10H12N2 (160.1000432)


   

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

   

Anabaseine

Anabaseine

C10H12N2 (160.1000432)


D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals Anabaseine is a non-selective nicotinic agonist. Anabaseine stimulates all AChRs, preferentially stimulates skeletal muscle and brain α7 subtypes[1][2]. Anabaseine is also a weak partial agonist at α4β2 nAChRs[3].

   

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.

   

N-Methyl-3-aminomethylindole

N-Methyl-3-aminomethylindole

C10H12N2 (160.1000432)


   
   

3-dehydrocarnitinium

3-Carboxy-N,N,N-trimethyl-2-oxo-1-propanaminium

C7H14NO3+ (160.0973634)


A quaternary ammonium ion that is the conjugate acid of 3-dehydrocarnitine.

   

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.

   

Anatabine

(-)-Anatabine

C10H12N2 (160.1000432)


   
   

2-Methyl-4-propyl-1,3-oxathiane

2-Methyl-4-propyl-1,3-oxathiane

C8H16OS (160.0921806)


An organosulfur heterocyclic compound and an oxacycle that is 1,3-oxathiane substituted by a methyl group at position 2 and a propyl group at position 4 respectively.

   

(S)-3-hydroxyoctanoic acid

(S)-3-hydroxyoctanoic acid

C8H16O3 (160.10993860000002)


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

   
   
   

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.

   

3-(Methylaminomethyl)indole

3-(Methylaminomethyl)indole

C10H12N2 (160.1000432)


An aminoalkylindole that is indole carrying a methylaminomethyl substituent at postion 3.

   

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.

   
   
   
   
   

Methylpropyloxathiane

Methylpropyloxathiane

C8H16OS (160.0921806)


   

(2s,4r)-2-carboxy-4-hydroxy-1,1-dimethylpyrrolidin-1-ium

(2s,4r)-2-carboxy-4-hydroxy-1,1-dimethylpyrrolidin-1-ium

[C7H14NO3]+ (160.0973634)


   

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"}

   
   
   

1-(1-methylindol-3-yl)methanamine

1-(1-methylindol-3-yl)methanamine

C10H12N2 (160.1000432)


   

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

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

C8H16O3 (160.10993860000002)


   

1,3-diethenyl-2-methoxybenzene

1,3-diethenyl-2-methoxybenzene

C11H12O (160.08881019999998)


   

(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)