Exact Mass: 188.1416
Exact Mass Matches: 188.1416
Found 500 metabolites which its exact mass value is equals to given mass value 188.1416,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
10-Hydroxydecanoic acid
10-hydroxycapric acid is a 10-carbon, omega-hydroxy fatty acid, shown to be the preferred hydroxylation product (together with the 9-OH isomer) of capric acid in biosystems, and used as a standard in lipid assays; reported to have cytotoxic effects. It is a straight-chain saturated fatty acid and an omega-hydroxy-medium-chain fatty acid. It is functionally related to a decanoic acid. It is a conjugate acid of a 10-hydroxycaprate. 10-Hydroxydecanoic acid, also known as 10-OH-capric acid or 10-OH-caprate, 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. Based on a literature review a significant number of articles have been published on 10-Hydroxydecanoic acid. This compound has been identified in human blood as reported by (PMID: 31557052 ). 10-hydroxydecanoic acid is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically 10-Hydroxydecanoic acid is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources. 10-Hydroxydecanoic acid (NSC 15139) is a saturated fatty acid of 10-hydroxy-trans-2-decenoic acid from royal jelly, with anti-inflammatory activity[1].
Glycylleucine
Glycylleucine is a dipeptide composed of glycine and leucine. 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. It appears to be a common substrate for glycyl-leucine dipeptidase. A dipeptide that appears to be a common substrate for glycyl-leucine dipeptidase. [HMDB] KEIO_ID G071 Glycyl-l-leucine is a dipeptide that can be a common substrate for?glycyl-leucine?dipeptidase.
Dimethyltryptamine
An N-methylated indoleamine derivative, a serotonergic hallucinogen found in several plants, especially Prestonia amazonica (Apocynaceae) and in mammalian brain, blood, and urine. It apparently acts as an agonist at some types of serotonin receptors and an antagonist at others.; DMT is a derivative of tryptamine with two additional methyl groups at the amine nitrogen atom. DMT is often synthesized by the Speeter-Anthony synthesis from indole using oxalyl chloride, dimethylamine, and lithium aluminium hydride as reagents. DMT is usually used in its base form, but it is more stable as a salt, e.g. as a fumarate. In contrast to DMTs base, its salts are water-soluble. DMT in solution degrades relatively fast and should be stored protected from air and light in a freezer. Highly pure DMT crystals, when evaporated out of a solvent and depositing upon glass, often produce small but highly defined white crystalline needles which when viewed under intense light will sparkle, and appear colorless under high magnification. In labs, it has been known to be explosive under a certain degree of heat.; DMT is a powerful psychoactive substance. If DMT is smoked, injected, or orally ingested with an MAOI, it can produce powerful entheogenic experiences including intense visual hallucinations, euphoria, even true hallucinations (perceived extensions of reality). A trip sitter is recommended to assist the drug user in staying physically and mentally healthy, and, in the case of smoked DMT, to catch the pipe if the user loses awareness of it.; DMT is classified in the United States as a Schedule I drug. In December of 2004, the Supreme Court lifted a stay thereby allowing the Brazil-based Uniaeo do Vegetal (UDV) church to use a decoction containing DMT in their Christmas services that year. This decoction is a tea made from boiled leaves and vines, known as hoasca within the UDV, and ayahuasca in different cultures. In Gonzales v. O Centro EspArita Beneficente Uniaeo do Vegetal, the Supreme Court heard arguments on November 1, 2005 and unanimously ruled in February 2006 that the U.S. federal government must allow the UDV to import and consume the tea for religious ceremonies under the 1993 Religious Freedom Restoration Act. There are no drug tests that would show DMT usage. None of the basic NIDA 5 drug tests or any extended drug test will show a result for DMT.; Dimethyltryptamine (DMT), also known as N,N-dimethyltryptamine, is a psychedelic tryptamine. It is not to be confused with 5-MeO-DMT and is similar in chemical structure to the neurotransmitter serotonin. DMT is created in small amounts by the human body during normal metabolism by the enzyme tryptamine-N-methyltransferase. Pure DMT at room temperature is a clear or white crystalline solid. DMT was first chemically synthesized in 1931. It also occurs naturally in many species of plants. DMT-containing plants are used in several South American shamanic practices. It is one of the main active constituents of snuffs like yopo and of the drink ayahuasca.; Oral ingestion: DMT, which is broken down by the digestive enzyme monoamine oxidase, is practically inactive if taken orally, unless combined with a monoamine oxidase inhibitor (MAOI). The traditional South American ayahuasca, or yage, is a tea mixture containing DMT and a MAOI. There are a number of admixtures to this brew, but most commonly it is simply the leaves of Psychotria viridis (containing DMT), and the vine Banisteriopsis caapi (the source of MAOI). Other DMT containing plants, including Diplopterys cabrerana, are sometimes used in ayahuasca in different areas of South America. Two common sources in the western US are Reed canary grass (Phalaris arundinacea) and Harding grass (Phalaris aquatica). These invasive grasses contain low levels of DMT and other alkaloids. Taken orally with an appropriate MAOI, DMT produces a long lasting (over 3 hour), slow, but deep spiritual experience. MAOIs should be used with extreme caution as they... Dimethyltryptamine is an N-methylated indoleamine derivative, a serotonergic hallucinogen found in several plants, especially Prestonia amazonica (Apocynaceae) and in mammalian brain, blood, and urine. It apparently acts as an agonist at some types of serotonin receptors and an antagonist at others. DMT is a derivative of tryptamine with two additional methyl groups at the amine nitrogen atom. DMT is often synthesized by the Speeter-Anthony synthesis from indole using oxalyl chloride, dimethylamine, and lithium aluminium hydride as reagents. DMT is usually used in its base form, but it is more stable as a salt, e.g. as a fumarate. In contrast to DMTs base, its salts are water-soluble. DMT in solution degrades relatively fast and should be stored protected from air and light in a freezer. Highly pure DMT crystals, when evaporated out of a solvent and depositing upon glass, often produce small but highly defined white crystalline needles which when viewed under intense light will sparkle, and appear colorless under high magnification. In labs, it has been known to be explosive under a certain degree of heat. DMT is a powerful psychoactive substance. If DMT is smoked, injected, or orally ingested with an MAOI, it can produce powerful entheogenic experiences including intense visual hallucinations, euphoria, even true hallucinations (perceived extensions of reality). A trip sitter is recommended to assist the drug user in staying physically and mentally healthy, and, in the case of smoked DMT, to catch the pipe if the user loses awareness of it. DMT is classified in the United States as a Schedule I drug. There are no drug tests that would show DMT usage. None of the basic NIDA 5 drug tests or any extended drug test will show a result for DMT. Dimethyltryptamine (DMT), also known as N,N-dimethyltryptamine, is a psychedelic tryptamine. It is not to be confused with 5-MeO-DMT and is similar in chemical structure to the neurotransmitter serotonin. DMT is created in small amounts by the human body during normal metabolism by the enzyme tryptamine-N-methyltransferase. Pure DMT at room temperature is a clear or white crystalline solid. DMT was first chemically synthesized in 1931. It also occurs naturally in many species of plants. DMT-containing plants are used in several South American shamanic practices. It is one of the main active constituents of snuffs like yopo and of the drink ayahuasca. Oral ingestion: DMT, which is broken down by the digestive enzyme monoamine oxidase, is practically inactive if taken orally, unless combined with a monoamine oxidase inhibitor (MAOI). The traditional South American ayahuasca, or yage, is a tea mixture containing DMT and a MAOI. There are a number of admixtures to this brew, but most commonly it is simply the leaves of Psychotria viridis (containing DMT), and the vine Banisteriopsis caapi (the source of MAOI). Other DMT containing plants, including Diplopterys cabrerana, are sometimes used in ayahuasca in different areas of South America. Two common sources in the western US are Reed canary grass (Phalaris arundinacea) and Harding grass (Phalaris aquatica). These invasive grasses contain low levels of DMT and other alkaloids. Taken orally with an appropriate MAOI, DMT produces a long lasting (over 3 hour), slow, but deep spiritual experience. MAOIs should be used with extreme caution as they can have lethal complications with some prescription drugs, such as SSRI antidepressants, and some over-the-counter drugs. Smoked: If DMT is smoked, the maximal effects last for a short period of time (5-30 minutes dose dependent). The onset after inhalation is very fast (less than 45 seconds) and maximal effects are reached within about a minute. The Business Mans lunch trip is a common name due to the relatively short duration of vaporized, insufflated, or injected DMT. D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D006213 - Hallucinogens
PROPAMOCARB
CONFIDENCE standard compound; EAWAG_UCHEM_ID 2945 CONFIDENCE standard compound; INTERNAL_ID 1075; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3982; ORIGINAL_PRECURSOR_SCAN_NO 3980 CONFIDENCE standard compound; INTERNAL_ID 1075; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3982; ORIGINAL_PRECURSOR_SCAN_NO 3981 CONFIDENCE standard compound; INTERNAL_ID 1075; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3972; ORIGINAL_PRECURSOR_SCAN_NO 3970 CONFIDENCE standard compound; INTERNAL_ID 1075; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3970; ORIGINAL_PRECURSOR_SCAN_NO 3968 CONFIDENCE standard compound; INTERNAL_ID 1075; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3995; ORIGINAL_PRECURSOR_SCAN_NO 3993 CONFIDENCE standard compound; INTERNAL_ID 1075; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4002; ORIGINAL_PRECURSOR_SCAN_NO 4000 CONFIDENCE standard compound; INTERNAL_ID 648; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3996; ORIGINAL_PRECURSOR_SCAN_NO 3993 CONFIDENCE standard compound; INTERNAL_ID 648; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4000; ORIGINAL_PRECURSOR_SCAN_NO 3998 CONFIDENCE standard compound; INTERNAL_ID 648; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3978; ORIGINAL_PRECURSOR_SCAN_NO 3976 CONFIDENCE standard compound; INTERNAL_ID 648; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3986; ORIGINAL_PRECURSOR_SCAN_NO 3985 CONFIDENCE standard compound; INTERNAL_ID 648; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4015; ORIGINAL_PRECURSOR_SCAN_NO 4014 CONFIDENCE standard compound; INTERNAL_ID 648; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3969; ORIGINAL_PRECURSOR_SCAN_NO 3968 CONFIDENCE standard compound; INTERNAL_ID 2779
Homo-L-arginine
L-homoarginine, also known as N6-(aminoiminomethyl)-L-lysine or N6-amidino-L-lysine, is a member of the class of compounds known as L-alpha-amino acids. L-alpha-amino acids are alpha amino acids which have the L-configuration of the alpha-carbon atom. More specifically, L-homoarginine is a naturally occurring, non-proteinogenic, cationic amino acid. It is formed in the liver in a reaction catalyzed by L-arginine:glycine amidinotransferase (AGAT) when transferring the amidino group from arginine to lysine. It is an alternative substrate for nitric oxide (NO) synthase. L-homoarginine increases the availability of NO and thereby affects endothelial function. High homoarginine levels may exert positive actions that are relevant to cardiovascular health, including enhanced endothelial function, inhibition of platelet aggregation and stimulation of insulin secretion (PMID: 30866658). Recent studies have demonstrated that low serum homoarginine levels are a strong predictor of cardiovascular mortality (PMID: 24583919). L-homoarginine is a substrate of the human cationic amino acid CAT1 [solute carrier family 7 (SLC7A1)], CAT2A (SLC7A2A) or CAT2B (SLC7A2B) (PMID: 28684763). According to published human metabolomic data, L-homoarginine can be found primarily in blood, cerebrospinal fluid (CSF), and urine, as well as in human intestinal and testes tissues. Moreover, L-homoarginine has been found to be associated with liver cirrhosis and the genetic disorder, hyperargininemia. Homoarginine is an organ-specific uncompetitive inhibitor of human liver and bone alkaline phosphohydrolase (PMID: 5063678). H-HoArg-OH, a homologue arginine, is a strong inhibitor of human bone and liver alkaline phosphatase.
L-Targinine
L-Targinine is found in pulses. L-Targinine is isolated from broad bean seed L-Targinine has been identified in the human placenta (PMID: 32033212). C471 - Enzyme Inhibitor > C29574 - Nitric Oxide Synthase Inhibitor D004791 - Enzyme Inhibitors
N6,N6,N6-Trimethyl-L-lysine
N6,N6,N6-Trimethyl-L-lysine is a methylated derivative of the amino acid lysine. It is a component of histone proteins, a precursor of carnitine and a coenzyme of fatty acid oxidation. N6,N6,N6-Trimethyl-L-lysine residues are found in a number of proteins and are generated by the action of S-adenosyl-L-methionine on exposed lysine residues. When trimethyllysine is released from cognate proteins via proteolysis, it serves as a precursor for carnitine biosynthesis. Mitochondrial 6-N-trimethyllysine dioxygenase converts 6-N-trimethyllysine to 3-hydroxy-6-N-trimethyllysine as the first step for carnitine biosynthesis. Because the subsequent carnitine biosynthesis enzymes are cytosolic, 3-hydroxy-6-N-trimethyllysine must be transported out of the mitochondria by a putative mitochondrial 6-N-trimethyllysine/3-hydroxy-6-N-trimethyllysine transporter system. Plasma -N-trimethyllysine concentrations are significantly lower in systemic carnitine deficiency patients compared to normal individuals, but no significant difference in urinary -N-trimethyllysine excretion is seen between the two groups. [HMDB] N6,N6,N6-Trimethyl-L-lysine is a methylated derivative of the amino acid lysine. It is a component of histone proteins, a precursor of carnitine and a coenzyme of fatty acid oxidation. N6,N6,N6-Trimethyl-L-lysine residues are found in a number of proteins and are generated by the action of S-adenosyl-L-methionine on exposed lysine residues. When trimethyllysine is released from cognate proteins via proteolysis, it serves as a precursor for carnitine biosynthesis. Mitochondrial 6-N-trimethyllysine dioxygenase converts 6-N-trimethyllysine to 3-hydroxy-6-N-trimethyllysine as the first step for carnitine biosynthesis. Because the subsequent carnitine biosynthesis enzymes are cytosolic, 3-hydroxy-6-N-trimethyllysine must be transported out of the mitochondria by a putative mitochondrial 6-N-trimethyllysine/3-hydroxy-6-N-trimethyllysine transporter system. Plasma -N-trimethyllysine concentrations are significantly lower in systemic carnitine deficiency patients compared to normal individuals, but no significant difference in urinary -N-trimethyllysine excretion is seen between the two groups. D050258 - Mitosis Modulators > D008934 - Mitogens
7,8-diaminopelargonate
7,8-diaminononanoate, also known as 7,8-dap or 7,8-diaminopelargonic acid, is a member of the class of compounds known as medium-chain fatty acids. Medium-chain fatty acids are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. Thus, 7,8-diaminononanoate is considered to be a fatty acid lipid molecule. 7,8-diaminononanoate is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 7,8-diaminononanoate can be found in a number of food items such as devilfish, walnut, rapini, and swamp cabbage, which makes 7,8-diaminononanoate a potential biomarker for the consumption of these food products. 7,8-diaminononanoate exists in E.coli (prokaryote) and yeast (eukaryote).
6-hydroxy-3,7-dimethyloctanoic acid
A hydroxy fatty acid that consists of caprylic acid bearing two additional methyl substituents at positions 3 and 7 as well as a hydroxy substituent at position 6.
3-hydroxydecanoate
3-Hydroxycapric acid (CAS: 14292-26-3) is a normally occurring carboxylic acid in human blood plasma. Medium- and long-chain 3-hydroxymonocarboxylic acids represent intermediates in the beta-oxidation of fatty acids. They accumulate in the plasma of patients with an inherited deficiency of long-chain 3-hydroxyacyl-CoA dehydrogenase (EC 1.1.1.35) (PMID: 1912723). 3-Hydroxyacyl-CoA dehydrogenase (HADH) deficiency has been described in diverse clinical cases: juvenile-onset recurrent myoglobinuria, hypoketotic hypoglycemic encephalopathy, hypertrophic/dilatative cardiomyopathy, sudden infant death, and fulminant hepatic failure (OMIM: 231530). 3-Hydroxycapric acid has some shape-transforming action on the membrane of intact human erythrocytes (PMID: 7318031). 3-hydroxycapric acid is a normally occurring carboxylic acid in human blood plasma. Medium- and long-chain 3-hydroxymonocarboxylic acids represent intermediates in the beta-oxidation of fatty acids. They accumulate in the plasma of patients with an inherited deficiency of long-chain 3-hydroxyacylCoA dehydrogenase [EC 1.1.1.35]. (PMID: 1912723) 3-Hydroxycapric acid is an inhibitor for mitotic progression.
Alanylvaline
Alanylvaline is a dipeptide composed of alanine and valine. 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.
Glycyl-Isoleucine
Glycyl-Isoleucine is a dipeptide composed of glycine and isoleucine. 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. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Leucyl-Glycine
Leucyl-Glycine is a dipeptide composed of leucine and glycine. 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. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
cis-p-Menthane-1,7,8-triol
trans-p-Menthane-1,7,8-triol is found in herbs and spices. trans-p-Menthane-1,7,8-triol is a constituent of Foeniculum vulgare (fennel) Constituent of Foeniculum vulgare (fennel). cis-p-Menthane-1,7,8-triol is found in herbs and spices.
(1R,2R,4R,8R)-p-Menthane-2,8,9-triol
(1S*,2S*,4R*,8S*)-p-Menthane-2,8,9-triol is found in fats and oils. (1S*,2S*,4R*,8S*)-p-Menthane-2,8,9-triol is a constituent of fruit of Carum carvi (caraway).
(1R,2R,4S)-p-Menthane-1,2,8-triol
(1R,2R,4S)-p-Menthane-1,2,8-triol is found in fats and oils. (1R,2R,4S)-p-Menthane-1,2,8-triol is a constituent of fruit of Carum carvi (caraway). Constituent of fruit of Carum carvi (caraway). (1R,2R,4S)-p-Menthane-1,2,8-triol is found in fats and oils and herbs and spices.
9-Hydroxydecanoic acid
9-Hydroxydecanoic acid is found in mushrooms. 9-Hydroxydecanoic acid is present in Agaricus campestris (field mushroom). Present in Agaricus campestris (field mushroom). 9-Hydroxydecanoic acid is found in mushrooms.
Ethyl (±)-3-hydroxyoctanoate
Ethyl (±)-3-hydroxyoctanoate is isolated from various fruits; Ethyl (±)-3-hydroxyoctanoate is a flavouring agent [CCD]. Isolated from various fruits; Flavouring agent [CCD]
Polycartine B
Polycartine B is a flavour enhancer. Flavour enhancer
2,6-Dimethyl-7-octene-2,3,6-triol
2,6-Dimethyl-7-octene-2,3,6-triol is found in alcoholic beverages. 2,6-Dimethyl-7-octene-2,3,6-triol is a constituent of Vitis vinifera (wine grape). Constituent of Vitis vinifera (wine grape). 2,6-Dimethyl-7-octene-2,3,6-triol is found in alcoholic beverages, fruits, and common grape.
7-Methyl-3-methylene-1,6,7-octanetriol
7-Methyl-3-methylene-1,6,7-octanetriol is found in herbs and spices. 7-Methyl-3-methylene-1,6,7-octanetriol is a constituent of Foeniculum vulgare (fennel). Constituent of Foeniculum vulgare (fennel). 7-Methyl-3-methylene-1,6,7-octanetriol is found in herbs and spices.
5-Methyl-2-phenyl-2-hexenal
5-Methyl-2-phenyl-2-hexenal is found in cocoa and cocoa products. 5-Methyl-2-phenyl-2-hexenal is a constituent of various plant species and cooked foods e.g. cocoa beans and roasted peanut. 5-Methyl-2-phenyl-2-hexenal is a flavouring ingredient Constituent of various plant subspecies and cooked foods e.g. cocoa beans and roasted peanut. Flavouring ingredient. 5-Methyl-2-phenyl-2-hexenal is found in cocoa and cocoa products and nuts.
2-Hydroxydecanoate
2-Hydroxydecanoate (CAS: 5393-81-7), also known as alpha-hydroxycapric acid, is classified as a member of the medium-chain fatty acids. Medium-chain fatty acids are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. 2-Hydroxydecanoate is considered to be a practically insoluble (in water) and a weakly acidic compound. 2-Hydroxydecanoate can be found in feces.
(1S,2S,4R,8R)-p-Menthane-1,2,9-triol
(1S,2S,4R,8R)-p-Menthane-1,2,9-triol is found in herbs and spices. (1S,2S,4R,8R)-p-Menthane-1,2,9-triol is a constituent of caraway fruits. Constituent of caraway fruits. (1S,2S,4R,8R)-p-Menthane-1,2,9-triol is found in herbs and spices.
xi-5-Hydroxydecanoic acid
Present as triglycerides in milk/butter fat. The glycerol monoester is a synthetic butter-like flavour ingredient. xi-5-Hydroxydecanoic acid is found in milk and milk products. xi-5-Hydroxydecanoic acid is found in milk and milk products. Present as triglycerides in milk/butter fat. The glycerol monoester is a synthetic butter-like flavour ingredient. D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents
Valylalanine
Valylalanine is a dipeptide composed of valine and alanine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Isoleucyl-Glycine
Isoleucyl-Glycine is a dipeptide composed of isoleucine and glycine. 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. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
(R)-3-Hydroxydecanoic acid
In humans fatty acids are predominantly formed in the liver and adipose tissue, and mammary glands during lactation.(R)-3-Hydroxydecanoic acid is an intermediate in fatty acid biosynthesis. Specifically,(R)-3-Hydroxydecanoic acid is converted from 3-Oxodecanoic acid via two enzymes; fatty-acid Synthase and 3-oxoacyl- [acyl-carrier- protein] reductase.( EC:2.3.1.85 and EC:1.1.1.100) [HMDB] In humans fatty acids are predominantly formed in the liver and adipose tissue, and mammary glands during lactation.(R)-3-Hydroxydecanoic acid is an intermediate in fatty acid biosynthesis. Specifically,(R)-3-Hydroxydecanoic acid is converted from 3-Oxodecanoic acid via two enzymes; fatty-acid Synthase and 3-oxoacyl- [acyl-carrier- protein] reductase.( EC:2.3.1.85 and EC:1.1.1.100).
2-(3-Methylbutyl)-1H-pyrrolo[2,3-b]pyridine
2-(3-Methylbutyl)-1H-pyrrolo[2,3-b]pyridine is found in eggs. 2-(3-Methylbutyl)-1H-pyrrolo[2,3-b]pyridine is a constituent of chicken eggs. Constituent of chicken eggs. 2-(3-Methylbutyl)-1H-pyrrolo[2,3-b]pyridine is found in eggs.
2-Butyl-3-phenyl-2-propen-1-al
2-Butyl-3-phenyl-2-propen-1-al is a food flavorant.
2-Hexyl-1,3-dioxan-5-ol
2-Hexyl-1,3-dioxan-5-ol is a flavouring agent for beverages, baked goods and candies. Flavouring agent for beverages, baked goods and candies
2-Hexyl-1,3-dioxolane-4-methanol
2-Hexyl-1,3-dioxolane-4-methanol is a flavouring ingredient for beverages, baked goods and candies. Flavouring ingredient for beverages, baked goods and candies
3-Buten-2-one 1-(2,3,6-trimethyl phenyl)
3-buten-2-one 1-(2,3,6-trimethyl phenyl) belongs to the family of Toluenes. These are compounds containing a benzene ring which bears a methane group.
1-H-Inden-1-one,2,3-dihydro-3,3,5,6-tetramethyl
1-H-inden-1-one,2,3-dihydro-3,3,5,6-tetramethyl belongs to the family of Indanones. These are compounds containing an indane ring bearing a ketone group.
N-[2-[2-(2-Aminoethylamino)ethylamino]ethyl]acetamide
N-(3-Aminopropyl)-N-methylcarbamic acid tert-butyl ester
Fenproporex
C78272 - Agent Affecting Nervous System > C29728 - Anorexiant
Ipidacrine
N - Nervous system > N06 - Psychoanaleptics > N06D - Anti-dementia drugs > N06DA - Anticholinesterases C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
(2S)-2-Amino-5-(diaminomethylideneamino)-4-methylpentanoic acid
(3Z)-4-(2,3,6-trimethylphenyl)-3-buten-2-one
Flavouring compound [Flavornet]
[1S-(1a,2a,4b)]-1-methyl-4-(1-methylethyl)-1,2,4-Cyclohexanetriol
[1S-(1a,2a,3b,4b)]-1-methyl-4-(1-methylethyl)-1,2,3-Cyclohexanetriol
Ipidacrine
N - Nervous system > N06 - Psychoanaleptics > N06D - Anti-dementia drugs > N06DA - Anticholinesterases C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
(E)-1,5-Tridecadiene-7,9-diyn-4-ol|trans-Trideca-1,5-dien-7,9-diin-4-ol
@2,3-dihydro-aethusanol-B|Dihydroaethusanol B|trideca-8t,10t-diene-4,6-diyn-1-ol
1alpha-(Hydroxymethyl)-4beta-(1,2-dihydroxy-1-methylethyl)cyclohexane
AC-Lys-OH
An acetyl-L-lysine where the acetyl group is located at the N(2)-posiiton. N-Alpha-acetyllysine is a N-acetylated amino acid. It is a normal constituent of human urine with concentrations in normal samples too small to allow its routine detection; however, it has been found at increased levels in the urine of a patient with aminoacylase I deficiency. (PMID 16274666) [HMDB] Acetyl-L-lysine is an endogenous metabolite.
10-Hydroxydecanoate
10-Hydroxydecanoic acid (NSC 15139) is a saturated fatty acid of 10-hydroxy-trans-2-decenoic acid from royal jelly, with anti-inflammatory activity[1].
N6-acetyl-L-lysine
An N(6)-acyl-L-lysine where the N(6)-acyl group is specified as acetyl. MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; DTERQYGMUDWYAZ-ZETCQYMHSA-N_STSL_0232_N-epsilon-Acetyl-L-lysine (N6)_8000fmol_190114_S2_LC02MS02_018; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. Nepsilon-Acetyl-L-lysine is a derivative of the amino acid lysine.
Homoarginine
An L-lysine derivative that is the L-enantiomer of homoarginine. Homoarginine is a guanidino compounds of guanidinoethanesulfonic acid. It is an organ-specific uncompetitive inhibitor of human liver and bone alkaline phosphohydrolase. (PMID 5063678). L-Homoarginine is found in grass pea. H-HoArg-OH, a homologue arginine, is a strong inhibitor of human bone and liver alkaline phosphatase.
Glycylleucine
Annotation level-3 Glycyl-l-leucine is a dipeptide that can be a common substrate for?glycyl-leucine?dipeptidase.
10-Hydroxydecanoic acid
10-Hydroxydecanoic acid (NSC 15139) is a saturated fatty acid of 10-hydroxy-trans-2-decenoic acid from royal jelly, with anti-inflammatory activity[1].
N-Alpha-acetyllysine
MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; VEYYWZRYIYDQJM-ZETCQYMHSA-N_STSL_0236_N-Alpha-acetyllysine_1000fmol_190403_S2_LC02MS02_049; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I.
N,N-Dibutylthiourea
CONFIDENCE standard compound; INTERNAL_ID 1353; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4283; ORIGINAL_PRECURSOR_SCAN_NO 4281 CONFIDENCE standard compound; INTERNAL_ID 1353; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4279; ORIGINAL_PRECURSOR_SCAN_NO 4275 CONFIDENCE standard compound; INTERNAL_ID 1353; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8580; ORIGINAL_PRECURSOR_SCAN_NO 8578 CONFIDENCE standard compound; INTERNAL_ID 1353; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8587; ORIGINAL_PRECURSOR_SCAN_NO 8585 CONFIDENCE standard compound; INTERNAL_ID 1353; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8610; ORIGINAL_PRECURSOR_SCAN_NO 8608 CONFIDENCE standard compound; INTERNAL_ID 1353; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8628; ORIGINAL_PRECURSOR_SCAN_NO 8626 CONFIDENCE standard compound; INTERNAL_ID 1353; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8654; ORIGINAL_PRECURSOR_SCAN_NO 8652 CONFIDENCE standard compound; INTERNAL_ID 1353; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8636; ORIGINAL_PRECURSOR_SCAN_NO 8634
7,8-Diaminononanoic acid
An amino fatty acid carrying amino substituents at positions 7 and 8. Some of its isomers are naturally occurring intermediates of biotin synthesis, and targets of antimicrobial and herbicide development.
(2-Amino-tert-butyl)carbamic acid tert-butyl ester
Promoxolane
C78281 - Agent Affecting Musculoskeletal System > C29696 - Muscle Relaxant
N,N-dimethyl-1-(7-methyl-1H-indol-3-yl)methanamine
1H-Benzimidazole,2-(1,1-dimethylethyl)-5-methyl-(9CI)
(1S,4S)-2-(o-tolyl)-2,5-diazabicyclo[2.2.1]heptane
Quinoxaline, 1,2,3,4-tetrahydro-2-(2-methyl-2-propenyl)- (9CI)
Quinoxaline, 1,2,3,4-tetrahydro-2-(1-methyl-2-propenyl)- (9CI)
((1-ETHOXY-2-METHYLPROP-1-EN-1-YL)OXY)TRIMETHYLSILANE
Quinoxaline, 1,2-dihydro-2-isopropyl-3-methyl- (6CI)
Quinoxaline, 1,2,3,4-tetrahydro-1,4-dimethyl-2-vinyl- (7CI)
N-(TERT-BUTOXYCARBONYL)-2-METHYL-1,3-DIAMINOPROPANE
Acetic acid,2-(trimethylsilyl)-, 1,1-dimethylethyl ester
(S)-tert-butyl 1-(methylamino)propan-2-ylcarbamate
(S)-2-(TERT-BUTYL-DIMETHYL-SILANYLOXY)-PROPIONALDEHYDE
1H-Benzimidazole,2-methyl-1-(2-methylpropyl)-(9CI)
1H-Benzimidazole,2-methyl-1-(1-methylpropyl)-(9CI)
(R)-2-(TERT-BUTYL-DIMETHYL-SILANYLOXY)-PROPIONALDEHYDE
Propaneperoxoic acid,2,2-dimethyl-, 1,1-dimethylpropyl ester
butyl(3-carboxypropyl)nitrosamine
D009676 - Noxae > D002273 - Carcinogens
5-(1,2-Dimethylprop-1-enyl)-1,2,3-trimethylbenzene
(S)-6,6a,7,8,9,10-Hexahydro-5H-pyrido[1,2-a]quinoxaline
(R)-6,6a,7,8,9,10-Hexahydro-5H-pyrido[1,2-a]quinoxaline
2,3,4,6,7,11b-Hexahydro-1H-pyrazino[2,1-a]isoquinoline
(7R,8S)-7,8-diaminononanoic acid
The isomer of 7,8-diaminononanoic acid having (R)- and (S)- configurations at C-7 and C-8, respectively; an intermediate in the biosynthetic pathway of biotin. As biotin is made exclusively in plants and microorganisms, both the chemical structure and biosynthetic enzymes of DAPA are targets for the development of herbicides and antimicrobial drugs.
(9R)-9-hydroxydecanoic acid
An (omega-1)-hydroxy fatty acid that is capric acid in which the 9-pro-R hydrogen is replaced by a hydroxy group.
1-H-Inden-1-one,2,3-dihydro-3,3,5,6-tetramethyl
1-H-inden-1-one,2,3-dihydro-3,3,5,6-tetramethyl belongs to the family of Indanones. These are compounds containing an indane ring bearing a ketone group.
3-Methylarginine
A non-proteinogenic alpha-amino acid that is arginine carrying a methyl group at position 3. It is a rare amino acid produced by Pseudomonas syringae syringae, with a strong toxicity against Pseudomonas syringae glycinea, two soybean pathogens.
(3R,6S)-6-hydroxy-3,7-dimethyloctanoic acid
An optically active form of 6-hydroxy-3,7-dimethyloctanoic acid, having (3R,6S)-configuration.
(2S)-2-Amino-5-(diaminomethylideneamino)-4-methylpentanoic acid
(2S)-2-ammonio-5-(N-methylcarbamimidamido)pentanoate
5-methyl-L-arginine
A non-proteinogenic L-alpha-amino acid that is L-arginine substituted by a methyl group at position 5.
(3S,6R)-6-hydroxy-3,7-dimethyloctanoic acid
An optically active form of 6-hydroxy-3,7-dimethyloctanoic acid, having (3S,6R)-configuration.
Dimethyltryptamine
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D006213 - Hallucinogens A tryptamine derivative having two N-methyl substituents on the side-chain.
Tilarginine
C471 - Enzyme Inhibitor > C29574 - Nitric Oxide Synthase Inhibitor D004791 - Enzyme Inhibitors
N6,N6,N6-Trimethyl-L-lysine
D050258 - Mitosis Modulators > D008934 - Mitogens
3-Hydroxydecanoic acid
A medium-chain fatty acid that is decanoic acid substituted at position 3 by a hydroxy group. 3-Hydroxycapric acid is an inhibitor for mitotic progression.
5-HYDROXYDECANOIC ACID
D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents
1-(hydroxymethyl)-4-(2-hydroxypropan-2-yl)cyclohexan-1-ol
4-(2-hydroxypropan-2-yl)-1-methylcyclohexane-1,2-diol
N(5)-methyl-L-arginine
A non-proteinogenic L-alpha-amino acid that is L-arginine substituted by a methyl group at N(5)-position.
N(omega)-methyl-L-arginine zwitterion
The zwitterion obtained from N(omega)-methyl-L-arginine by transfer of a proton from the carboxylic acid group to the alpha-amino group.
10-hydroxycapric acid
A 10-carbon, omega-hydroxy fatty acid, shown to be the preferred hydroxylation product (together with the 9-OH isomer) of capric acid in biosystems, and used as a standard in lipid assays; reported to have cytotoxic effects.
N(Omega)-methyl-L-arginine
A L-arginine derivative with a N(omega)-methyl substituent.
(1s,2s,4s)-4-isopropyl-1-methylcyclohexane-1,2,4-triol
1,1,7-trimethyl-1ah,2h,3h,5h,6h,7bh-cyclopropa[a]naphthalene
(2s)-2-[(1r,4s)-4-(hydroxymethyl)cyclohexyl]propane-1,2-diol
(1r,7r,10r)-4,10-dimethyl-11-methylidenetricyclo[5.3.1.0¹,⁵]undec-4-ene
2,3,4,5,-trimethylphenyl-2-butene
{"Ingredient_id": "HBIN003856","Ingredient_name": "2,3,4,5,-trimethylphenyl-2-butene","Alias": "NA","Ingredient_formula": "C13H16O","Ingredient_Smile": "CC1=C(C(=C(C=C1)C=CC(=O)C)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42896","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(3s,6r)-6,7-dihydroxy-6,7-dihydrolinalool
{"Ingredient_id": "HBIN009683","Ingredient_name": "(3s,6r)-6,7-dihydroxy-6,7-dihydrolinalool","Alias": "NA","Ingredient_formula": "C10H20O3","Ingredient_Smile": "CC(C)(C(CCC(C)(C=C)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5810","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(3s,6s)-6,7-dihydroxy-6,7-dihydrolinalool
{"Ingredient_id": "HBIN009690","Ingredient_name": "(3s,6s)-6,7-dihydroxy-6,7-dihydrolinalool","Alias": "NA","Ingredient_formula": "C10H20O3","Ingredient_Smile": "CC(C)(C(CCC(C)(C=C)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5811","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4-(3,3-dimethyl-1,4-pentadienyl)phenol
{"Ingredient_id": "HBIN009897","Ingredient_name": "4-(3,3-dimethyl-1,4-pentadienyl)phenol","Alias": "NA","Ingredient_formula": "C13H16O","Ingredient_Smile": "CC(C)(C=C)C=CC1=CC=C(C=C1)O","Ingredient_weight": "188.26 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7967","PubChem_id": "5470819","DrugBank_id": "NA"}
4-epi-11-nor-aristola-1(10),11-diene
{"Ingredient_id": "HBIN010349","Ingredient_name": "4-epi-11-nor-aristola-1(10),11-diene","Alias": "NA","Ingredient_formula": "C14H20","Ingredient_Smile": "CC1CCC=C2C1(C3C(C3=C)CC2)C","Ingredient_weight": "188.31 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6976","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "637290","DrugBank_id": "NA"}
4-epi-11-nor-aristola-9,11-diene
{"Ingredient_id": "HBIN010351","Ingredient_name": "4-epi-11-nor-aristola-9,11-diene","Alias": "NA","Ingredient_formula": "C14H20","Ingredient_Smile": "CC1CCCC2=CCC3C(C12C)C3=C","Ingredient_weight": "188.31 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6977","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "12087736","DrugBank_id": "NA"}
4-p-menthane-1,7,8-triol
{"Ingredient_id": "HBIN010824","Ingredient_name": "4-p-menthane-1,7,8-triol","Alias": "NA","Ingredient_formula": "C10H20O3","Ingredient_Smile": "CC(C)(C1CCC(CC1)(CO)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13733","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
benzene,[1-(2-propenyloxy)-3-butenyl]
{"Ingredient_id": "HBIN017741","Ingredient_name": "benzene,[1-(2-propenyloxy)-3-butenyl]","Alias": "NA","Ingredient_formula": "C13H16O","Ingredient_Smile": "C=CCC(C1=CC=CC=C1)OCC=C","Ingredient_weight": "188.26 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40804","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "535320","DrugBank_id": "NA"}
