Exact Mass: 160.11449299999998
Exact Mass Matches: 160.11449299999998
Found 500 metabolites which its exact mass value is equals to given mass value 160.11449299999998,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Tryptamine
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
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
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
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
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
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
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
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
Ethyl (±)-3-hydroxyhexanoate
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
4-Acetamido-2-aminobutanoic acid is found in sugar bee
4-Hydroxyvalproic acid
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
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
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
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].
3-Hydroxyoctanoic acid
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-Norgramine
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
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
(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
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
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
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-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).
Ethyl 2-hydroxy-4-methylpentanoate
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
2-Methyl-4-propyl-1,3-oxathiane
(+)-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)-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
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
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
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
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
(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-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 is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
Peroxyoctanoic acid
Peroxyoctanoic acid is a component of antimicrobial washes for poultry carcasses. Component of antimicrobial washes for poultry carcasses
2-Phenyl-4-pentenal
(±)-2-Phenyl-4-pentenal is a flavouring ingredient. It is used as a food additive
3-Phenyl-4-pentenal
3-Phenyl-4-pentenal is a flavouring ingredient. Flavouring ingredient
Isoamyl lactate
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 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 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 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
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
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)
d-Alanyl-l-alanine
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].
1,2,3,6-Tetrahydro-2,3'-bipyridine
(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].
Emeriamine
C7H16N2O2 (160.12117160000003)
D007004 - Hypoglycemic Agents D004791 - Enzyme Inhibitors
N-Nitroso(2-hydroxypropyl)(2-oxopropyl)amine
D009676 - Noxae > D002273 - Carcinogens
Isovaleraldehyde glyceryl acetal
It is used as a food additive .
2-Hydroxyoctanoic acid
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].
1-tert-butyl-3-(2-hydroxyethyl)urea
C7H16N2O2 (160.12117160000003)
D-2,3,4,6,7-Pentadeoxy-2,6-diamino-ribo-hexose
C7H16N2O2 (160.12117160000003)
(+-)-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
2-Hydroxyoctanoate
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
A dipeptide consisting of two L-alanine units joined by a peptide linkage. CONFIDENCE standard compound; ML_ID 46
L-beta-Homolysine
C7H16N2O2 (160.12117160000003)
Acquisition and generation of the data is financially supported in part by CREST/JST.
D-Ala-D-ala
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 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
C7H16N2O2 (160.12117160000003)
N6-Methyl-lysine; AIF; CE10; CorrDec
C7H16N2O2 (160.12117160000003)
N6-Methyl-lysine; AIF; CE30; CorrDec
C7H16N2O2 (160.12117160000003)
N6-Methyl-lysine; AIF; CE0; MS2Dec
C7H16N2O2 (160.12117160000003)
N6-Methyl-lysine; AIF; CE10; MS2Dec
C7H16N2O2 (160.12117160000003)
N6-Methyl-lysine; AIF; CE30; MS2Dec
C7H16N2O2 (160.12117160000003)
2-Hydroxyoctanoic acid
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
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.
N-Amino-N-methylglycine tert-butyl ester
C7H16N2O2 (160.12117160000003)
METHYL 2-(TRIMETHYLSILYL)PROPIONATE
C7H16O2Si (160.09195160000002)
3-(3-Methoxypropyl)-1,1-dimethylure
C7H16N2O2 (160.12117160000003)
(1-METHYL-1H-IMIDAZOL-2-YL)-(3-NITRO-PHENYL)-METHANONE
(4s,5s)-4,5-di(aminomethyl)-2,2-dimethyldioxolane
C7H16N2O2 (160.12117160000003)
N-MeLys
C7H16N2O2 (160.12117160000003)
A N-methyl-L-amino acid that is the N(alpha)-methyl derivative of L-lysine.
1-methoxy-1-trimethylsilyloxypropene
C7H16O2Si (160.09195160000002)
1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalene
3-(Aminomethyl)-N,N-dimethyltetrahydro-3-thiophenamine
(R)-3-tert-Butoxy-2-aminopropanamide
C7H16N2O2 (160.12117160000003)
(R)-2-Amino-3-(diethylamino)propanoic acid
C7H16N2O2 (160.12117160000003)
Tetracyclo[3.2.0.02,7.04,6]heptane-3-carbonitrile, 3-(dimethylamino)- (9CI)
3-Pyridinecarbonitrile,2-methyl-4-(1-methylethyl)-(9CI)
3-hydroxy-4,4-dimethyl-pentanoic acid methyl ester
1-amino-3-morpholin-4-yl-propan-2-ol
C7H16N2O2 (160.12117160000003)
(S)-1-AMINO-3-MORPHOLINOPROPAN-2-OL
C7H16N2O2 (160.12117160000003)
2(1H)-Pyrimidinone,tetrahydro-1,3-bis(hydroxymethyl)-
N-(5-aminopentyl)-N-hydroxyacetamide
C7H16N2O2 (160.12117160000003)
2-methyl-L-glutamine
A non-proteinogenic L-alpha-amino acid that is L-glutamine substituted by a methyl group at position 2.
4-(1,3,2-Dioxaborolan-2-yloxy)butan-1-aminium
C6H15BNO3+ (160.11449299999998)
5-Hydroxyamino-3-methyl-pyrrolidine-2-carboxylic acid
Artonil
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
(2S,4R)-4-hydroxy-1,1-dimethylpyrrolidin-1-ium-2-carboxylic acid
(2S,4S)-2-carboxy-4-hydroxy-1,1-dimethylpyrrolidinium
[(2R,3S)-2-hydroxy-6-oxohexan-3-yl]-dimethylazanium
(2R,3S)-3-Hydroxy-1,1-dimethylpyrrolidin-1-ium-2-carboxylic acid
(2R)-4-Hydroxy-1,1-dimethylpyrrolidin-1-ium-2-carboxylic acid
N-ethyl-L-asparagine
An optically active form of N-ethylasparagine having L-configuration.
(4Z)-2-methyl-4-(2-methylprop-2-enylidene)cyclohexa-2,5-dien-1-one
(3R,4R)-4-hydroxy-1,1-dimethyl-3-pyrrolidin-1-iumcarboxylic acid
1-Carboxyheptan-1-aminium
An alpha-amino-acid cation that is the conjugate acid of 2-aminooctanoic acid, arising from protonation of the amino group.
(2S)-3-hydroxy-1,1-dimethylpyrrolidin-1-ium-2-carboxylic acid
(2S,3S)-3-Methylbutan-1,2,4-triol 1,2-isopropylidene acetal
Deuterio-[3-[deuterio(dimethyl)silyl]propyl]-dimethylsilane
Deuterio-[1,1,2,2,3,3-hexadeuterio-3-[deuterio(dimethyl)silyl]propyl]-dimethylsilane
Butyl-deuterio-[deuterio(dimethyl)silyl]-methylsilane
methacholine
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
D-Alanyl-D-alanine
A dipeptide comprising D-alanine with a D-alanyl residue attached to the alpha-nitrogen. It is a component of bacterial peptidoglycan and forms an important target for development of antibacterial drugs . 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].
Anabaseine
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
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.
(2S)-2-acetamido-4-aminobutanoic acid
An N-acetyl-L-amino that is the N(2)-acetyl derivative of L-2,4-diaminobutyric acid.
3-dehydrocarnitinium
A quaternary ammonium ion that is the conjugate acid of 3-dehydrocarnitine.
8-Hydroxyoctanoic acid
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.
(2S)-2-acetamido-4-aminobutanoic acid zwitterion
An amino acid zwitterion obtained by transfer of a proton from the amino to the carboxy group of (2S)-2-acetamido-4-aminobutanoic acid; major species at pH 7.3.
2-Methyl-4-propyl-1,3-oxathiane
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.
(R)-3-Hydroxyoctanoic acid
The (R)-enantiomer of 3-hydroxyoctanoic acid; an important building block in the biomedical and pharmaceutical fields.
(7R)-7-hydroxyoctanoic Acid
An (omega-1)-hydroxy fatty acid that is octanoic acid in which the 7-pro-R hydrogen has been replaced by a hydroxy group.
N-ethylasparagine
A dicarboxylic acid monoamide that is asparagine in which one of the hydrogens attached to the nitrogen of the alpha-amino group is replaced by an ethyl group.
3-methylbutyl 2-hydroxypropanoate
A carboxylic ester obtained by the formal condensation of the carboxy group of 2-hydroxypropanoic acid with the hydroxy group of isoamylol.
3-(Methylaminomethyl)indole
An aminoalkylindole that is indole carrying a methylaminomethyl substituent at postion 3.
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.
(2s,4r)-2-carboxy-4-hydroxy-1,1-dimethylpyrrolidin-1-ium
2(Methoxymethyl)-2,4,5-trimethyl-1,3-dioxolane
{"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"}
Benzene, 1-(2-butenyl)-2,3-dimethyl-
{"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"}