Exact Mass: 188.1096

Exact Mass Matches: 188.1096

Found 260 metabolites which its exact mass value is equals to given mass value 188.1096, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Azelaic acid

nonanedioic acid

C9H16O4 (188.1049)


Nonanedioic acid is an alpha,omega-dicarboxylic acid that is heptane substituted at positions 1 and 7 by carboxy groups. It has a role as an antibacterial agent, an antineoplastic agent, a dermatologic drug and a plant metabolite. It is a dicarboxylic fatty acid and an alpha,omega-dicarboxylic acid. It is a conjugate acid of an azelaate(2-) and an azelaate. Azelaic acid is a saturated dicarboxylic acid found naturally in wheat, rye, and barley. It is also produced by Malassezia furfur, also known as Pityrosporum ovale, which is a species of fungus that is normally found on human skin. Azelaic acid is effective against a number of skin conditions, such as mild to moderate acne, when applied topically in a cream formulation of 20\\\\\%. It works in part by stopping the growth of skin bacteria that cause acne, and by keeping skin pores clear. Azelaic acids antimicrobial action may be attributable to inhibition of microbial cellular protein synthesis. Azelaic acid is a metabolite found in or produced by Escherichia coli (strain K12, MG1655). The physiologic effect of azelaic acid is by means of Decreased Protein Synthesis, and Decreased Sebaceous Gland Activity. Azelaic Acid is a naturally occurring dicarboxylic acid produced by Malassezia furfur and found in whole grain cereals, rye, barley and animal products. Azelaic acid possesses antibacterial, keratolytic, comedolytic, and anti-oxidant activity. Azelaic acid is bactericidal against Proprionibacterium acnes and Staphylococcus epidermidis due to its inhibitory effect on the synthesis of microbial cellular proteins. Azelaic acid exerts its keratolytic and comedolytic effects by reducing the thickness of the stratum corneum and decreasing the number of keratohyalin granules by reducing the amount and distribution of filaggrin in epidermal layers. Azelaic acid also possesses a direct anti-inflammatory effect due to its scavenger activity of free oxygen radical. This drug is used topically to reduce inflammation associated with acne and rosacea. Azelaic acid is a saturated dicarboxylic acid found naturally in wheat, rye, and barley. It is a natural substance that is produced by Malassezia furfur (also known as Pityrosporum ovale), a yeast that lives on normal skin. It is effective against a number of skin conditions, such as mild to moderate acne, when applied topically in a cream formulation of 20\\\\\%. It works in part by stopping the growth of skin bacteria that cause acne, and by keeping skin pores clear. Azelaic acids antimicrobial action may be attributable to inhibition of microbial cellular protein synthesis. See also: Azelaic acid; niacinamide (component of) ... View More ... Azelaic acid (AZA) is a naturally occurring saturated nine-carbon dicarboxylic acid (COOH (CH2)7-COOH). It possesses a variety of biological actions both in vitro and in vivo. Interest in the biological activity of AZA arose originally out of studies of skin surface lipids and the pathogenesis of hypochromia in pityriasis versicolor infection. Later, it was shown that Pityrosporum can oxidize unsaturated fatty acids to C8-C12 dicarboxylic acids that are cornpetitive inhibitors of tyrosinase in vitro. Azelaic acid was chosen for further investigation and development of a new topical drug for treating hyperpigmentary disorders for the following reasons: it possesses a middle-range of antityrosinase activity, is inexpensive, and more soluble to be incorporated into a base cream than other dicarboxylic acids. Azelaic acid is another option for the topical treatment of mild to moderate inflammatory acne vulgaris. It offers effectiveness similar to that of other agents without the systemic side effects of oral antibiotics or the allergic sensitization of topical benzoyl peroxide and with less irritation than tretinoin. Azelaic acid is less expensive than certain other prescription acne preparations, but it is much more expensive than nonprescription benzoyl peroxide preparations. Whether it is safe and effective when used in combination with other agents is not known. (PMID: 7737781, 8961845). An alpha,omega-dicarboxylic acid that is heptane substituted at positions 1 and 7 by carboxy groups. Plants biology In plants, azelaic acid serves as a "distress flare" involved in defense responses after infection.[7] It serves as a signal that induces the accumulation of salicylic acid, an important component of a plant's defensive response.[8] Human biology The mechanism of action in humans is thought to be through the inhibition of hyperactive protease activity that converts cathelicidin into the antimicrobial skin peptide LL-37.[9] Polymers and related materials Esters of this dicarboxylic acid find applications in lubrication and plasticizers. In lubricant industries it is used as a thickening agent in lithium complex grease. With hexamethylenediamine, azelaic acid forms Nylon-6,9, which finds specialized uses as a plastic.[4] Medical Azelaic acid is used to treat mild to moderate acne, both comedonal acne and inflammatory acne.[10][11] It belongs to a class of medication called dicarboxylic acids. It works by killing acne bacteria that infect skin pores. It also decreases the production of keratin, which is a natural substance that promotes the growth[clarification needed] of acne bacteria.[12] Azelaic acid is also used as a topical gel treatment for rosacea, due to its ability to reduce inflammation.[11] It clears the bumps and swelling caused by rosacea. In topical pharmaceutical preparations and scientific research AzA is typically used in concentrations between 15\\\% and 20\\\% but some research demonstrates that in certain vehicle formulations the pharmaceutical effects of 10\\\% Azelaic acid has the potential to be fully comparable to that of some 20\\\% creams.[13] Acne treatment Azelaic acid is effective for mild to moderate acne when applied topically at a 15\\\%-20\\\% concentration.[14][15][16][17] In patients with moderate acne, twice daily application over 3 months of 20\\\% AzA significantly reduced the number of comedones, papules, and pustules;[18][19] at this strength, it’s considered to be as effective as benzoyl peroxide 5\\\%, tretinoin 0.05\\\%, erythromycin 2\\\%, and oral tetracycline at 500 mg-1000 mg.[20][21] In a comparative review of effects of topical AzA, Salicylic acid, Nicotinamide, Sulfur, Zinc, and alpha-hydroxy acid, AzA had more high-quality evidence of effectiveness than the rest.[22] Results can be expected after 4 weeks of twice-daily treatment. The effectiveness of long term use is unclear, but it’s been recommended that AzA be used for at least 6 months continuously for maintenance.[20] Whitening agent Azelaic acid is used for treatment of skin pigmentation, including melasma and postinflammatory hyperpigmentation, particularly in those with darker skin types. It has been recommended as an alternative to hydroquinone.[23] As a tyrosinase inhibitor,[5] azelaic acid reduces synthesis of melanin.[24] According to one report in 1988, azelaic acid in combination with zinc sulfate in vitro was found to be a potent (90\\\% inhibition) 5α-reductase inhibitor, similar to the hair loss drugs finasteride and dutasteride.[25] In vitro research during mid-1980s evaluating azelaic acid's depigmenting (whitening) capability concluded it is effective (cytotoxic to melanocytes) at only high concentrations.[26] A 1996 review claimed 20\\\% AzA is as potent as 4\\\% hydroquinone after a period of application of three months without the latter's adverse effects and even more effective if applied along with tretinoin for the same period of time.[27][19] Azelaic acid is a nine-carbon dicarboxylic acid. Azelaic acid has antimicrobial activity against Propionibacterium acnes and Staphylococcus epidermidis through inhibition of microbial cellular prorein synthesis. Azelaic acid has hypopigmentation action resulting from its ability to scavenge free radicals[1][2]. Azelaic acid is a nine-carbon dicarboxylic acid. Azelaic acid has antimicrobial activity against Propionibacterium acnes and Staphylococcus epidermidis through inhibition of microbial cellular prorein synthesis. Azelaic acid has hypopigmentation action resulting from its ability to scavenge free radicals[1][2].

   

Eucommiol

1-Cyclopentene-1,2-dimethanol, 4-hydroxy-3-(2-hydroxyethyl)-, (3R,4R)-

C9H16O4 (188.1049)


Eucommiol is an alicyclic compound that is cyclopent-3-en-1-ol carrying additional hydroxymethyl substituents at positions 3 and 4 as well as a 2-hydroxyethyl substituent at position 2 (the 1R,2R-diastereomer). It has a role as a sedative and a plant metabolite. It is a tetrol, a primary allylic alcohol and an alicyclic compound. Eucommiol is a natural product found in Aucuba japonica, Vitex trifolia, and other organisms with data available. An alicyclic compound that is cyclopent-3-en-1-ol carrying additional hydroxymethyl substituents at positions 3 and 4 as well as a 2-hydroxyethyl substituent at position 2 (the 1R,2R-diastereomer).

   

Glycylleucine

(2S)-2-(2-aminoacetamido)-4-methylpentanoic acid

C8H16N2O3 (188.1161)


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.

   

Nα-Acetyl-L-lysine

(2S)-6-(Acetylamino)-2-aminohexanoic acid

C8H16N2O3 (188.1161)


N-epsilon-Acetyl-L-lysine also known as Nepsilon-Acetyllysine or N6-Acetyllysine, belongs to the class of organic compounds known as N-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at one of its nitrogen atoms. N-epsilon-Acetyl-L-lysine can also be classified as an alpha amino acid or a derivatized alpha amino acid. Technically, N-epsilon-Acetyl-L-lysine is a biologically available sidechain, N-capped form of the proteinogenic alpha amino acid L-lysine. Unlike L-lysine, acetylated lysine derivatives such as N-epsilon-Acetyl-L-lysine are zwitterionic compounds. These are molecules that contains an equal number of positively- and negatively-charged functional groups. N-epsilon-Acetyl-L-lysine is found naturally in eukaryotes ranging from yeast to plants to humans. N-acetyl amino acids can be produced either via direct synthesis of specific N-acetyltransferases or via the proteolytic degradation of N-acetylated proteins (often histones) by specific hydrolases. N-epsilon-Acetyl-L-lysine can be biosynthesized from L-lysine and acetyl-CoA via the enzyme known as Lysine N-acetyltransferase. Post-translational lysine-acetylation is one of two major modifications of lysine residues in various proteins – either N-terminal or N-alpha acetylation or N6 (sidechain) acetylation. Side-chain acetylation of specific lysine residues in the N-terminal domains of core histones is a biochemical marker of active genes. Acetylation is now known to play a major role in eukaryotic transcription. Specifically, acetyltransferase enzymes that act on particular lysine side chains of histones and other proteins are intimately involved in transcriptional activation. By modifying chromatin proteins and transcription-related factors, these acetylases are believed to regulate the transcription of many genes. The best-characterized mechanism is acetylation, catalyzed by histone acetyltransferase (HAT) enzymes. HATs function enzymatically by transferring an acetyl group from acetyl-coenzyme A (acetyl-CoA) to the amino group of certain lysine side chains within a histones basic N-terminal tail region. Within a histone octamer, these regions extend out from the associated globular domains, and in the context of a nucleosome, they are believed to bind the DNA through charge interactions (positively charged histone tails associated with negatively charged DNA) or mediate interactions between nucleosomes. Lysine acetylation, which neutralizes part of a tail regions positive charge, is postulated to weaken histone-DNA or nucleosome-nucleosome interactions and/or signal a conformational change, thereby destabilizing nucleosome structure or arrangement and giving other nuclear factors, such as the transcription complex, more access to a genetic locus. In agreement with this is the fact that acetylated chromatin has long been associated with states of transcriptional activation. Specific recognition of N6-acetyl-L-lysine is a conserved function of all bromodomains found in different proteins, recognized as an emerging intracellular signalling mechanism that plays critical roles in regulating gene transcription, cell-cycle progression, apoptosis, DNA repair, and cytoskeletal organization (PMID: 9169194 , 10827952 , 17340003 , 16247734 , 9478947 , 10839822 ). N-acetylated amino acids, such as N-epsilon-Acetyl-L-lysine can be released by an N-acylpeptide hydrolase from histones going through proteolytic degradation (PMID: 16465618). Many N-acetylamino acids are classified as uremic toxins if present in high abundance in the serum or plasma (PMID: 26317986; PMID: 20613759). Uremic toxins are a diverse group of endogenously produced molecules that, if not properly cleared or eliminated by the kidneys, can cause kidney damage, cardiovascular disease and neurological deficits (PMID: 18287557). Isolated from sugarbeet (Beta vulgaris) KEIO_ID A174 Nepsilon-Acetyl-L-lysine is a derivative of the amino acid lysine.

   

N2-acetyllysine

6-Amino-2-[(1-hydroxyethylidene)amino]hexanoate

C8H16N2O3 (188.1161)


N-alpha-Acetyl-L-lysine also known as Nalpha-Acetyllysine, belongs to the class of organic compounds known as N-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. N-alpha-Acetyl-L-lysine can also be classified as an alpha amino acid or a derivatized alpha amino acid. Technically, N-alpha-Acetyl-L-lysine is a biologically available N-terminal capped form of the proteinogenic alpha amino acid L-lysine. Unlike L-lysine, acetylated lysine derivatives such as N-alpha-Acetyl-L-lysine are zwitterionic compounds. These are molecules that contains an equal number of positively- and negatively-charged functional groups. N-alpha-Acetyl-L-lysine is found naturally in eukaryotes ranging from yeast to plants to humans. N-acetyl amino acids can be produced either via direct synthesis of specific N-acetyltransferases or via the proteolytic degradation of N-acetylated proteins by specific hydrolases. N-terminal acetylation of proteins is a widespread and highly conserved process in eukaryotes that is involved in protection and stability of proteins (PMID: 16465618). About 85\\\% of all human proteins and 68\\\% of all yeast proteins are acetylated at their N-terminus (PMID: 21750686). Several proteins from prokaryotes and archaea are also modified by N-terminal acetylation. The majority of eukaryotic N-terminal-acetylation reactions occur through N-acetyltransferase enzymes or NAT’s (PMID: 30054468). These enzymes consist of three main oligomeric complexes NatA, NatB, and NatC, which are composed of at least a unique catalytic subunit and one unique ribosomal anchor. The substrate specificities of different NAT enzymes are mainly determined by the identities of the first two N-terminal residues of the target protein. The human NatA complex co-translationally acetylates N-termini that bear a small amino acid (A, S, T, C, and occasionally V and G) (PMID: 30054468). NatA also exists in a monomeric state and can post-translationally acetylate acidic N-termini residues (D-, E-). NatB and NatC acetylate N-terminal methionine with further specificity determined by the identity of the second amino acid. N-acetylated amino acids, such as N-alpha-Acetyl-L-lysine can be released by an N-acylpeptide hydrolase from peptides generated by proteolytic degradation (PMID: 16465618). In addition to the NAT enzymes and protein-based acetylation, N-acetylation of free lysine can also occur. In particular, N-alpha-Acetyl-L-lysine can be biosynthesized from L-lysine and acetyl-CoA via the enzyme known as Lysine N-acetyltransferase. Individuals with hyperlysinaemia due to L-lysine alpha-ketoglutarate reductase deficiency will excrete high levels of N-alpha-Acetyl-L-lysine in their urine (PMID: 116084). L-lysine alpha-ketoglutarate reductase deficiency, if untreated, can lead to neurological and behavioral deficits (PMID: 116084). Many N-acetylamino acids are classified as uremic toxins if present in high abundance in the serum or plasma (PMID: 26317986; PMID: 20613759). Uremic toxins are a diverse group of endogenously produced molecules that, if not properly cleared or eliminated by the kidneys, can cause kidney damage, cardiovascular disease and neurological deficits (PMID: 18287557). Acetyl-L-lysine is an endogenous metabolite.

   

6-Acetamido-3-aminohexanoate

6-acetamido-3-aminohexanoic acid

C8H16N2O3 (188.1161)


   

(3S)-6-Acetamido-3-aminohexanoic acid

(3S)-6-Acetamido-3-aminohexanoic acid

C8H16N2O3 (188.1161)


   

Alanylvaline

(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoic acid

C8H16N2O3 (188.1161)


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

2-[(2-amino-1-hydroxyethylidene)amino]-3-methylpentanoic acid

C8H16N2O3 (188.1161)


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.

   

Nonate

(2R) - 2- Pentylbutanedioic acid

C9H16O4 (188.1049)


Nonic acid or the anion, nonate, is a derivative of succinic acid, which is a dicarboxylic acid. The anion, succinate, is a component of the citric acid cycle capable of donating electrons to the electron transfer chain. Succinate dehydrogenase (SDH) plays an important role in the mitochondria, being both part of the respiratory chain and the Krebs cycle. SDH with a covalently attached FAD prosthetic group, binds enzyme substrates (succinate and fumarate) and physiological regulators (oxaloacetate and ATP). Oxidizing succinate links SDH to the fast-cycling Krebs cycle portion where it participates in the breakdown of acetyl-CoA throughout the whole Krebs cycle. The succinate can readily be imported into the mitochondrial matrix by the n-butylmalonate- (or phenylsuccinate-) sensitive dicarboxylate carrier in exchange with inorganic phosphate or another organic acid, e. g. malate. (PMID 16143825) Mutations in the four genes encoding the subunits of the mitochondrial respiratory chain succinate dehydrogenase are associated with a wide spectrum of clinical presentations (i.e.: Huntingtons disease. (PMID 11803021) [HMDB] Nonic acid or the anion, nonate, is a derivative of succinic acid, which is a dicarboxylic acid. The anion, succinate, is a component of the citric acid cycle capable of donating electrons to the electron transfer chain. Succinate dehydrogenase (SDH) plays an important role in the mitochondria, being both part of the respiratory chain and the Krebs cycle. SDH with a covalently attached FAD prosthetic group, binds enzyme substrates (succinate and fumarate) and physiological regulators (oxaloacetate and ATP). Oxidizing succinate links SDH to the fast-cycling Krebs cycle portion where it participates in the breakdown of acetyl-CoA throughout the whole Krebs cycle. The succinate can readily be imported into the mitochondrial matrix by the n-butylmalonate- (or phenylsuccinate-) sensitive dicarboxylate carrier in exchange with inorganic phosphate or another organic acid, e. g. malate. (PMID 16143825) Mutations in the four genes encoding the subunits of the mitochondrial respiratory chain succinate dehydrogenase are associated with a wide spectrum of clinical presentations (i.e.: Huntingtons disease. (PMID 11803021).

   

Leucyl-Glycine

2-[(2-Amino-1-hydroxy-4-methylpentylidene)amino]acetate

C8H16N2O3 (188.1161)


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.

   

3-Methylsuberic acid

3-methyloctanedioic acid

C9H16O4 (188.1049)


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

   

Valylalanine

(2S)-2-[(2S)-2-amino-3-methylbutanamido]propanoic acid

C8H16N2O3 (188.1161)


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

2-[(2-Amino-1-hydroxy-3-methylpentylidene)amino]acetate

C8H16N2O3 (188.1161)


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.

   

cis- and trans-Ethyl 2,4-dimethyl-1,3-dioxolane-2-acetate

cis- And trans-ethyl 2,4-dimethyl-1,3-dioxolane-2-acetic acid

C9H16O4 (188.1049)


cis- and trans-Ethyl 2,4-dimethyl-1,3-dioxolane-2-acetate 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 .

   

(+/-)-Ethyl 3-acetoxy-2-methylbutyrate

(+/-)-ethyl 3-acetoxy-2-methylbutyric acid

C9H16O4 (188.1049)


(+/-)-Ethyl 3-acetoxy-2-methylbutyrate 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 .

   

(+/-)-Methyl 5-acetoxyhexanoate

(+/-)-methyl 5-acetoxyhexanoic acid

C9H16O4 (188.1049)


(+/-)-Methyl 5-acetoxyhexanoate 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 .

   

Butyl ethyl malonate

Propanedioic acid, butyl ethyl ester

C9H16O4 (188.1049)


Butyl ethyl malonate is a flavouring agent Flavouring agent

   

2,4-Dimethylpimelic acid

2,4-dimethylheptanedioic acid

C9H16O4 (188.1049)


2,4-Dimethylpimelic acid belongs to the family of Branched Fatty Acids. These are fatty acids containing a branched chain.

   

Diethyl methylsuccinate

1,4-Diethyl 2-methylbutanedioic acid

C9H16O4 (188.1049)


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

   

Diethyl glutarate

Diethyl 1,3-propanedicarboxylic acid

C9H16O4 (188.1049)


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

   

N-(3-Amino-3-oxopropyl)-L-valine

2-[(3-Amino-3-oxopropyl)amino]-3-methylbutanoic acid

C8H16N2O3 (188.1161)


   

alpha-Acetyllysine

2-acetyl-2,6-diaminohexanoic acid

C8H16N2O3 (188.1161)


   

DIBOA tetrahexose

4-(C-Hydroxycarbonimidoyl)-2-(trimethylazaniumyl)butanoic acid

C8H16N2O3 (188.1161)


   

3-(2-Hydroxyethyl)-5-(2-hydroxypropyl)-dihydrofuran-2(3H)-one

3-(2-Hydroxyethyl)-5-(2-hydroxypropyl)-dihydrofuran-2(3H)-one

C9H16O4 (188.1049)


   

2-(3-METHYLOXIRAN-2-YL)HEX-3-ENE-1,2,5-TRIOL

2-(3-METHYLOXIRAN-2-YL)HEX-3-ENE-1,2,5-TRIOL

C9H16O4 (188.1049)


   

3-(1-Hydroxybutyl)-4-(hydroxymethyl)oxolan-2-one

3-(1-Hydroxybutyl)-4-(hydroxymethyl)oxolan-2-one

C9H16O4 (188.1049)


   

Methylene bisbutyrate

Methylene bisbutyrate

C9H16O4 (188.1049)


   

Oxalic acid, butyl propyl ester

Oxalic acid, butyl propyl ester

C9H16O4 (188.1049)


   

Methyl-5,7-dihydroxy-2(Z)-octenoate

Methyl-5,7-dihydroxy-2(Z)-octenoate

C9H16O4 (188.1049)


   

epoxycerberidol

epoxycerberidol

C9H16O4 (188.1049)


   

3-(2-Hydroxyethyl)-5-(2-hydroxypropyl)-4,5-dihydrofuran-2(3H)-one

3-(2-Hydroxyethyl)-5-(2-hydroxypropyl)-4,5-dihydrofuran-2(3H)-one

C9H16O4 (188.1049)


   

Dimethyl pimelate

Dimethyl pimelate

C9H16O4 (188.1049)


   

Cyclocerberidol

Cyclocerberidol

C9H16O4 (188.1049)


   

4,4-Dimethylheptanedioic acid

4,4-Dimethylheptanedioic acid

C9H16O4 (188.1049)


   

2-(1,3-dioxan-2-ylmethyl)-1,3-dioxane

2-(1,3-dioxan-2-ylmethyl)-1,3-dioxane

C9H16O4 (188.1049)


   

Suberic acid monomethyl ester

Suberic acid monomethyl ester

C9H16O4 (188.1049)


   

Dimethyl 2-isopropylsuccinate #

Dimethyl 2-isopropylsuccinate #

C9H16O4 (188.1049)


   

2-Methylene-3-hydroperoxybutyric acid 2-methylpropyl ester

2-Methylene-3-hydroperoxybutyric acid 2-methylpropyl ester

C9H16O4 (188.1049)


   

methyl 4-ethoxymethyl-3-hydroxy-4-pentenoate

methyl 4-ethoxymethyl-3-hydroxy-4-pentenoate

C9H16O4 (188.1049)


   

7-hydroxy-10-deoxyeucommiol

7-hydroxy-10-deoxyeucommiol

C9H16O4 (188.1049)


   

4,9-dihydroxy-2-nonenoic acid

4,9-dihydroxy-2-nonenoic acid

C9H16O4 (188.1049)


   

communiol C|{(3S,5S)-5-[(S)-1-hydroxypropyl]tetrahydrofuran-3-yl}acetic acid

communiol C|{(3S,5S)-5-[(S)-1-hydroxypropyl]tetrahydrofuran-3-yl}acetic acid

C9H16O4 (188.1049)


   
   

isoaspinonene

isoaspinonene

C9H16O4 (188.1049)


   

SCHEMBL2138196

SCHEMBL2138196

C9H16O4 (188.1049)


   

SCHEMBL572790

SCHEMBL572790

C9H16O4 (188.1049)


   

methylene dibutyrate

methylene dibutyrate

C9H16O4 (188.1049)


   

AC-Lys-OH

N-alpha-Acetyl-L-lysine

C8H16N2O3 (188.1161)


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.

   

Azelaic Acid

Azelaic Acid

C9H16O4 (188.1049)


D - Dermatologicals > D10 - Anti-acne preparations > D10A - Anti-acne preparations for topical use C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent D000970 - Antineoplastic Agents D003879 - Dermatologic Agents Annotation level-2 Azelaic acid is a nine-carbon dicarboxylic acid. Azelaic acid has antimicrobial activity against Propionibacterium acnes and Staphylococcus epidermidis through inhibition of microbial cellular prorein synthesis. Azelaic acid has hypopigmentation action resulting from its ability to scavenge free radicals[1][2]. Azelaic acid is a nine-carbon dicarboxylic acid. Azelaic acid has antimicrobial activity against Propionibacterium acnes and Staphylococcus epidermidis through inhibition of microbial cellular prorein synthesis. Azelaic acid has hypopigmentation action resulting from its ability to scavenge free radicals[1][2].

   

Ne-acetyl-L-lysine

Ne-acetyl-L-lysine

C8H16N2O3 (188.1161)


   

N-Acetyl-L-lysine

N-Acetyl-L-lysine

C8H16N2O3 (188.1161)


   

N6-acetyl-L-lysine

N(6)-acetyl-L-lysine

C8H16N2O3 (188.1161)


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.

   

Glycylleucine

Glycylleucine

C8H16N2O3 (188.1161)


Annotation level-3 Glycyl-l-leucine is a dipeptide that can be a common substrate for?glycyl-leucine?dipeptidase.

   

Ala-val

2-(2-amino-3-methylbutanamido)propanoic acid

C8H16N2O3 (188.1161)


A dipeptide formed from L-alanyl and L-valine residues.

   

Gly-ile

2-(2-amino-3-methylpentanamido)acetic acid

C8H16N2O3 (188.1161)


A dipeptide formed from glycine and L-isoleucine residues.

   

Gly-leu

Gly-leu

C8H16N2O3 (188.1161)


A dipeptide composed of glycine and L-leucine joined by a peptide linkage.

   

N-Epsilon-Acetyllysine

N-Epsilon-Acetyllysine

C8H16N2O3 (188.1161)


   

NONic acid

NONic acid

C9H16O4 (188.1049)


   

N ALPHA-ACETYL-L-LYSINE

N ALPHA-ACETYL-L-LYSINE

C8H16N2O3 (188.1161)


   

N-Alpha-acetyllysine

N-Alpha-acetyllysine

C8H16N2O3 (188.1161)


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.

   

Azelaic acid (Not validated)

Azelaic acid (Not validated)

C9H16O4 (188.1049)


Annotation level-2

   

Leucylglycine

Leucylglycine

C8H16N2O3 (188.1161)


Annotation level-2

   
   

Asparagine butyl ester

Asparagine butyl ester

C8H16N2O3 (188.1161)


   

Nalpha-acetyl-L-lysine

Nalpha-acetyl-L-lysine

C8H16N2O3 (188.1161)


   

N6-Acetyl-lysine; LC-tDDA; CE10

N6-Acetyl-lysine; LC-tDDA; CE10

C8H16N2O3 (188.1161)


   

N6-Acetyl-lysine; LC-tDDA; CE20

N6-Acetyl-lysine; LC-tDDA; CE20

C8H16N2O3 (188.1161)


   

N6-Acetyl-lysine; LC-tDDA; CE30

N6-Acetyl-lysine; LC-tDDA; CE30

C8H16N2O3 (188.1161)


   

N6-Acetyl-lysine; LC-tDDA; CE40

N6-Acetyl-lysine; LC-tDDA; CE40

C8H16N2O3 (188.1161)


   

N2-Acetyl-lysine; LC-tDDA; CE10

N2-Acetyl-lysine; LC-tDDA; CE10

C8H16N2O3 (188.1161)


   

N2-Acetyl-lysine; LC-tDDA; CE20

N2-Acetyl-lysine; LC-tDDA; CE20

C8H16N2O3 (188.1161)


   

N2-Acetyl-lysine; LC-tDDA; CE30

N2-Acetyl-lysine; LC-tDDA; CE30

C8H16N2O3 (188.1161)


   

N2-Acetyl-lysine; LC-tDDA; CE40

N2-Acetyl-lysine; LC-tDDA; CE40

C8H16N2O3 (188.1161)


   

azelate

Azelaic Acid

C9H16O4 (188.1049)


Azelaic acid is a nine-carbon dicarboxylic acid. Azelaic acid has antimicrobial activity against Propionibacterium acnes and Staphylococcus epidermidis through inhibition of microbial cellular prorein synthesis. Azelaic acid has hypopigmentation action resulting from its ability to scavenge free radicals[1][2]. Azelaic acid is a nine-carbon dicarboxylic acid. Azelaic acid has antimicrobial activity against Propionibacterium acnes and Staphylococcus epidermidis through inhibition of microbial cellular prorein synthesis. Azelaic acid has hypopigmentation action resulting from its ability to scavenge free radicals[1][2].

   

N-ALPHA-ACETYL-LYSINE

N-ALPHA-ACETYL-LYSINE

C8H16N2O3 (188.1161)


   

Nonic Acid_major

Nonic Acid_major

C9H16O4 (188.1049)


   

Azelaic acid_major

Azelaic acid_major

C9H16O4 (188.1049)


   

3-Isobutylglutaric acid

3-Isobutylglutaric acid

C9H16O4 (188.1049)


   
   
   
   
   
   
   

3-Methylsuberic acid

3-Methylsuberic acid

C9H16O4 (188.1049)


   

Nonate

(2R) - 2- Pentylbutanedioic acid

C9H16O4 (188.1049)


   

Ile-gly

2-(2-aminoacetamido)-3-methylpentanoic acid

C8H16N2O3 (188.1161)


A dipeptide formed from L-isoleucine and glycine residues.

   

Leu-gly

2-(2-aminoacetamido)-4-methylpentanoic acid

C8H16N2O3 (188.1161)


A dipeptide formed from L-leucine and glycine residues.

   

Val-ala

2-(2-aminopropanamido)-3-methylbutanoic acid

C8H16N2O3 (188.1161)


A dipeptide formed from L-valine and L-alanine residues.

   

Ethyl Dimethyl Dioxolane Acetate

cis- and trans-Ethyl 2,4-dimethyl-1,3-dioxolane-2-acetate

C9H16O4 (188.1049)


   

Ethyl 3-acetoxy-2-methylbutyrate

(+/-)-Ethyl 3-acetoxy-2-methylbutyrate

C9H16O4 (188.1049)


   

Methyl 5-acetoxyhexanoate

(+/-)-Methyl 5-acetoxyhexanoate

C9H16O4 (188.1049)


   

butyl ethyl malonate

Propanedioic acid, butyl ethyl ester

C9H16O4 (188.1049)


   

FA 9:1;O2

3-Methylsuberic acid

C9H16O4 (188.1049)


   

SFE 9:1;O2

cis- and trans-Ethyl 2,4-dimethyl-1,3-dioxolane-2-acetate

C9H16O4 (188.1049)


   

(1-phenylpyrazol-4-yl)methylhydrazine

(1-phenylpyrazol-4-yl)methylhydrazine

C10H12N4 (188.1062)


   

5-phenyl-2-propan-2-yltetrazole

5-phenyl-2-propan-2-yltetrazole

C10H12N4 (188.1062)


   

4-acetyloxypentan-2-yl acetate

4-acetyloxypentan-2-yl acetate

C9H16O4 (188.1049)


   

dimethyl 2-methylhexanedioate

dimethyl 2-methylhexanedioate

C9H16O4 (188.1049)


   

(R)-2-Methylsuccinic acid 4-tert-butyl ester

(R)-2-Methylsuccinic acid 4-tert-butyl ester

C9H16O4 (188.1049)


   

L-Asparagine tert-butyl ester

L-Asparagine tert-butyl ester

C8H16N2O3 (188.1161)


   

1-(3-CHLOROPROPYL)-1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE

1-(3-CHLOROPROPYL)-1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE

C10H12N4 (188.1062)


   

(R)-2-BUTYLSUCCINIC ACID-1-METHYL ESTER

(R)-2-BUTYLSUCCINIC ACID-1-METHYL ESTER

C9H16O4 (188.1049)


   

3-Butyl-1,2-dimethyl-1H-imidazol-3-ium chloride

3-Butyl-1,2-dimethyl-1H-imidazol-3-ium chloride

C9H17ClN2 (188.108)


   

2-(2-methoxyethoxy)ethyl methacrylate

2-(2-methoxyethoxy)ethyl methacrylate

C9H16O4 (188.1049)


   

6-piperazinonicotinonitrile

6-piperazinonicotinonitrile

C10H12N4 (188.1062)


   

H-Gly-Ile-OH

N-Glycyl-L-isoleucine

C8H16N2O3 (188.1161)


   

Ethyl 3,3-diethoxyacrylate

Ethyl 3,3-diethoxyacrylate

C9H16O4 (188.1049)


   

dl-alanyl-dl-norvaline

dl-alanyl-dl-norvaline

C8H16N2O3 (188.1161)


   

METHYL5-BORONONICOTINATE

METHYL5-BORONONICOTINATE

C9H16O4 (188.1049)


   

5-(2-Methylbenzyl)-4H-1,2,4-triazol-3-amine

5-(2-Methylbenzyl)-4H-1,2,4-triazol-3-amine

C10H12N4 (188.1062)


   

Acetic acid,2-[2-(1-piperazinyl)ethoxy]-

Acetic acid,2-[2-(1-piperazinyl)ethoxy]-

C8H16N2O3 (188.1161)


   

Methyl 2-methyl-2-propanyl succinate

Methyl 2-methyl-2-propanyl succinate

C9H16O4 (188.1049)


   

Ethyl 2,2-dimethyl-1,3-dioxane-5-carboxylate

Ethyl 2,2-dimethyl-1,3-dioxane-5-carboxylate

C9H16O4 (188.1049)


   

(5-METHYL-2-PHENYL-2H-1,2,3-TRIAZOL-4-YL)METHANAMINE

(5-METHYL-2-PHENYL-2H-1,2,3-TRIAZOL-4-YL)METHANAMINE

C10H12N4 (188.1062)


   

Diisopropyl malonate

Diisopropyl malonate

C9H16O4 (188.1049)


   

DL-Leucylglycine

DL-Leucylglycine

C8H16N2O3 (188.1161)


   

Dipropyl Malonate

Dipropyl Malonate

C9H16O4 (188.1049)


   

5-[(2-Methyl-2-propanyl)oxy]-5-oxopentanoic acid

5-[(2-Methyl-2-propanyl)oxy]-5-oxopentanoic acid

C9H16O4 (188.1049)


   

Diethyl dimethylmalonate

Diethyl dimethylmalonate

C9H16O4 (188.1049)


   

4-Cyclopentenylphenylboronic acid

4-Cyclopentenylphenylboronic acid

C11H13BO2 (188.1009)


   

2,2-Dipropylmalonic acid

2,2-Dipropylmalonic acid

C9H16O4 (188.1049)


   

Dimethyl diethylmalonate

Dimethyl diethylmalonate

C9H16O4 (188.1049)


   

N-epsilon-Acetyl-D-lysine

N-epsilon-Acetyl-D-lysine

C8H16N2O3 (188.1161)


   
   

2-(2-ethoxyethoxy)ethyl prop-2-enoate

2-(2-ethoxyethoxy)ethyl prop-2-enoate

C9H16O4 (188.1049)


   

2-(2-ethenylphenyl)-1,3,2-dioxaborinane

2-(2-ethenylphenyl)-1,3,2-dioxaborinane

C11H13BO2 (188.1009)


   

Methyl-5-deoxy-2,3-O-isopropylidene-b-D-ribofuranoside

Methyl-5-deoxy-2,3-O-isopropylidene-b-D-ribofuranoside

C9H16O4 (188.1049)


   

4-(2-nitrobutyl)morpholine

4-(2-nitrobutyl)morpholine

C8H16N2O3 (188.1161)


   

3-Methylhexanedioic acid dimethyl ester

3-Methylhexanedioic acid dimethyl ester

C9H16O4 (188.1049)


   

trimethyl-[2-(2-methylphenyl)ethynyl]silane

trimethyl-[2-(2-methylphenyl)ethynyl]silane

C12H16Si (188.1021)


   

3-tert-butylpyrido[3,4-e][1,2,4]triazine

3-tert-butylpyrido[3,4-e][1,2,4]triazine

C10H12N4 (188.1062)


   

Diethyl ethylmalonate

Diethyl ethylmalonate

C9H16O4 (188.1049)


   

Methyl-5-deoxy-2,3-O-isopropylidene-D-ribofuranoside

Methyl-5-deoxy-2,3-O-isopropylidene-D-ribofuranoside

C9H16O4 (188.1049)


   

glycyl-d-leucine

glycyl-d-leucine

C8H16N2O3 (188.1161)


   

TRIMETHYL(P-TOLYLETHYNYL)SILANE

TRIMETHYL(P-TOLYLETHYNYL)SILANE

C12H16Si (188.1021)


   

Monoethyl pimelate

7-Ethoxy-7-oxoheptanoic acid

C9H16O4 (188.1049)


   

1-methyl-3-propyl-1,2-dihydroimidazol-1-ium,nitrate

1-methyl-3-propyl-1,2-dihydroimidazol-1-ium,nitrate

C7H14N3O3 (188.1035)


   

6-ACETOXY-N-CAPROIC ACID METHYL ESTER

6-ACETOXY-N-CAPROIC ACID METHYL ESTER

C9H16O4 (188.1049)


   

1,3-diisopropylimidazol-1-ium chloride

1,3-diisopropylimidazol-1-ium chloride

C9H17ClN2 (188.108)


   

N-METHYL-N-[3-(1H-1,2,4-TRIAZOL-1-YL)BENZYL]AMINE

N-METHYL-N-[3-(1H-1,2,4-TRIAZOL-1-YL)BENZYL]AMINE

C10H12N4 (188.1062)


   

tert-Butyl ethyl malonate

tert-Butyl ethyl malonate

C9H16O4 (188.1049)


   

2,3,4,5,6,7,8,9-octadeuterio-1,10-phenanthroline

2,3,4,5,6,7,8,9-octadeuterio-1,10-phenanthroline

C12D8N2 (188.119)


   

dimethyl 2,2-dimethylglutarate

dimethyl 2,2-dimethylglutarate

C9H16O4 (188.1049)


   

4-Pyridinecarbonitrile,2-(1-piperazinyl)-(9CI)

4-Pyridinecarbonitrile,2-(1-piperazinyl)-(9CI)

C10H12N4 (188.1062)


   

2,4-DIETHYLGLUTARIC ACID

2,4-DIETHYLGLUTARIC ACID

C9H16O4 (188.1049)


   

DIMETHYL 2-(TERT-BUTYL)MALONATE

DIMETHYL 2-(TERT-BUTYL)MALONATE

C9H16O4 (188.1049)


   

2-[3-(1,3-dioxolan-2-yl)propyl]-1,3-dioxolane

2-[3-(1,3-dioxolan-2-yl)propyl]-1,3-dioxolane

C9H16O4 (188.1049)


   

3-METHYL-1-PHENYL-1H-PYRAZOLE-4,5-DIAMINE

3-METHYL-1-PHENYL-1H-PYRAZOLE-4,5-DIAMINE

C10H12N4 (188.1062)


   

3-(5-ethyl-1H-1,2,4-triazol-3-yl)aniline

3-(5-ethyl-1H-1,2,4-triazol-3-yl)aniline

C10H12N4 (188.1062)


   

Ethyl 2-((Tetrahydro-2H-pyran-2-yl)oxy)acetate

Ethyl 2-((Tetrahydro-2H-pyran-2-yl)oxy)acetate

C9H16O4 (188.1049)


   

TRIMETHYL[(3-METHYLPHENYL)ETHYNYL]SILANE

TRIMETHYL[(3-METHYLPHENYL)ETHYNYL]SILANE

C12H16Si (188.1021)


   

(S)-(-)-2-AMINO-4-METHYL-1,1-DIPHENYL-1-PENTANOL

(S)-(-)-2-AMINO-4-METHYL-1,1-DIPHENYL-1-PENTANOL

C9H16O4 (188.1049)


   

(3-(CYCLOPENT-1-EN-1-YL)PHENYL)BORONIC ACID

(3-(CYCLOPENT-1-EN-1-YL)PHENYL)BORONIC ACID

C11H13BO2 (188.1009)


   

L-Tyrosine-d7

L-Tyrosine-d7

C9H4D7NO3 (188.1178)


   

(α,β,β,2,3,5,6-2H7)Tyrosine

(α,β,β,2,3,5,6-2H7)Tyrosine

C9H4D7NO3 (188.1178)


   

5-(3-Methylbenzyl)-4H-1,2,4-triazol-3-amine

5-(3-Methylbenzyl)-4H-1,2,4-triazol-3-amine

C10H12N4 (188.1062)


   

5-(4-Methylbenzyl)-4H-1,2,4-triazol-3-amine

5-(4-Methylbenzyl)-4H-1,2,4-triazol-3-amine

C10H12N4 (188.1062)


   

Dimethyl isobutylmalonate

Dimethyl isobutylmalonate

C9H16O4 (188.1049)


   

5-tert-Butyl-3,6-dihydro-2-hydrazino-1,3,4-thiadizine

5-tert-Butyl-3,6-dihydro-2-hydrazino-1,3,4-thiadizine

C7H16N4S (188.1096)


   

glycyl-dl-norleucine

glycyl-dl-norleucine

C8H16N2O3 (188.1161)


   

1-(2-methylbenzyl)-1H-1,2,4-triazol-3-amine(SALTDATA: FREE)

1-(2-methylbenzyl)-1H-1,2,4-triazol-3-amine(SALTDATA: FREE)

C10H12N4 (188.1062)


   

Dimethyl butylmalonate

Dimethyl butylmalonate

C9H16O4 (188.1049)


   

1,1-diethoxypentane-2,4-dione

1,1-diethoxypentane-2,4-dione

C9H16O4 (188.1049)


   

2-Piperazinonicotinonitrile

2-Piperazinonicotinonitrile

C10H12N4 (188.1062)


   

1,5-Diacetoxypentane

1,5-Diacetoxypentane

C9H16O4 (188.1049)


   

ethyl (Z)-2-(ethoxymethyl)-3-methoxyprop-2-enoate

ethyl (Z)-2-(ethoxymethyl)-3-methoxyprop-2-enoate

C9H16O4 (188.1049)


   

butyl(3-carboxypropyl)nitrosamine

butyl(3-carboxypropyl)nitrosamine

C8H16N2O3 (188.1161)


D009676 - Noxae > D002273 - Carcinogens

   

2-Ethylglutaric acid dimethyl ester

2-Ethylglutaric acid dimethyl ester

C9H16O4 (188.1049)


   

Poly(2,2-dimethyl-1,3-propylene succinate)

Poly(2,2-dimethyl-1,3-propylene succinate)

C9H16O4 (188.1049)


   

N-(4-Amino-2-cyanophenyl)-N,N-dimethylformamidine

N-(4-Amino-2-cyanophenyl)-N,N-dimethylformamidine

C10H12N4 (188.1062)


   

[4-(2-Hydroxy-ethyl)-piperazin-1-yl]-acetic acid

[4-(2-Hydroxy-ethyl)-piperazin-1-yl]-acetic acid

C8H16N2O3 (188.1161)


   

2-BUTYL-2-ETHYLMALONIC ACID

2-BUTYL-2-ETHYLMALONIC ACID

C9H16O4 (188.1049)


   

4-[(2,3-EPOXYPROPOXY)METHYL]-2,2-DIMETHYL-1,3-DIOXOLANE

4-[(2,3-EPOXYPROPOXY)METHYL]-2,2-DIMETHYL-1,3-DIOXOLANE

C9H16O4 (188.1049)


   

Methyl diacetoacetate

Methyl diacetoacetate

C9H16O4 (188.1049)


   

1h-inden-1-yltrimethylsilane

1h-inden-1-yltrimethylsilane

C12H16Si (188.1021)


   

Pentanedioic acid,2,4-dimethyl-, 1,5-dimethyl ester

Pentanedioic acid,2,4-dimethyl-, 1,5-dimethyl ester

C9H16O4 (188.1049)


   

4-AMINO-5,6,7,8-TETRAHYDRO-2H-PYRAZOLO[3,4-B]QUINOLINE

4-AMINO-5,6,7,8-TETRAHYDRO-2H-PYRAZOLO[3,4-B]QUINOLINE

C10H12N4 (188.1062)


   

(2H8)-9H-Fluoren-9-one

(2H8)-9H-Fluoren-9-one

C13D8O (188.1077)


   

3-(tert-Butoxycarbonylamino)propanamide

3-(tert-Butoxycarbonylamino)propanamide

C8H16N2O3 (188.1161)


   

N-(2-Nitroisotutyl)-morpholine

N-(2-Nitroisotutyl)-morpholine

C8H16N2O3 (188.1161)


   
   

H-Gln(isopropyl)-OH

H-Gln(isopropyl)-OH

C8H16N2O3 (188.1161)


   
   

5-(4-propan-2-ylphenyl)-2H-tetrazole

5-(4-propan-2-ylphenyl)-2H-tetrazole

C10H12N4 (188.1062)


   

Dimethyl 3,3-dimethylpentanedioate

Dimethyl 3,3-dimethylpentanedioate

C9H16O4 (188.1049)


   

2-[(2-Amino-3-methylbutanoyl)amino]propanoic acid

2-[(2-Amino-3-methylbutanoyl)amino]propanoic acid

C8H16N2O3 (188.1161)


   

3-tert-butylpentanedioic Acid

3-tert-butylpentanedioic Acid

C9H16O4 (188.1049)


   

Propyl 5-methoxy-3-oxopentanoate

Propyl 5-methoxy-3-oxopentanoate

C9H16O4 (188.1049)


   
   

(2S)-2-[(2-azaniumylacetyl)amino]-4-methylpentanoate

(2S)-2-[(2-azaniumylacetyl)amino]-4-methylpentanoate

C8H16N2O3 (188.1161)


   
   
   

gamma-Glutamyl-isopropylamide

gamma-Glutamyl-isopropylamide

C8H16N2O3 (188.1161)


   

CID 11830173

CID 11830173

C9H16O4 (188.1049)


   

(3S)-6-acetamido-3-aminohexanoate

(3S)-6-acetamido-3-aminohexanoate

C8H16N2O3 (188.1161)


   

{[(2S)-2-azaniumyl-4-methylpentanoyl]amino}acetate

{[(2S)-2-azaniumyl-4-methylpentanoyl]amino}acetate

C8H16N2O3 (188.1161)


   

DIBOA tetrahexose

DIBOA tetrahexose

C8H16N2O3 (188.1161)


   

(2S)-2-acetamido-6-ammoniohexanoate

(2S)-2-acetamido-6-ammoniohexanoate

C8H16N2O3 (188.1161)


   

2-Methylbutyl 2-acetyloxyacetate

2-Methylbutyl 2-acetyloxyacetate

C9H16O4 (188.1049)


An acetate ester obtained by the formal condensation of the carboxy group of (acetyloxy)acetic acid with 2-methylbutanol.

   

(4S,5S)-4,5-Bis(methoxymethyl)-2-vinyl-1,3-dioxolane

(4S,5S)-4,5-Bis(methoxymethyl)-2-vinyl-1,3-dioxolane

C9H16O4 (188.1049)


   

(4S,5S)-2-Ethylidene-4,5-bis(methoxymethyl)-1,3-dioxolane

(4S,5S)-2-Ethylidene-4,5-bis(methoxymethyl)-1,3-dioxolane

C9H16O4 (188.1049)


   

H-Gly-Leu-OH

Glycyl-L-leucine

C8H16N2O3 (188.1161)


Glycyl-l-leucine is a dipeptide that can be a common substrate for?glycyl-leucine?dipeptidase.

   

6-acetamido-3-aminohexanoic acid

6-acetamido-3-aminohexanoic acid

C8H16N2O3 (188.1161)


A member of the class of beta-amino acids that is the N(6)-acetyl derivative of 3,6-diaminohexanoic acid.

   

(S)-6-acetamido-3-aminohexanoic acid

(3S)-6-Acetamido-3-aminohexanoic acid

C8H16N2O3 (188.1161)


A 6-acetamido-3-aminohexanoic acid in which the chiral centre at position 3 has S-configuration.

   

(S)-6-acetamido-3-aminohexanoic acid zwitterion

(S)-6-acetamido-3-aminohexanoic acid zwitterion

C8H16N2O3 (188.1161)


A 6-acetamido-3-aminohexanoic acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of (3S)-6-acetamido-3-aminohexanoic acid; major species at pH 7.3.

   

Diethyl glutarate

Diethyl glutarate

C9H16O4 (188.1049)


A diester obtained by the formal condensation of carboxy groups of glutaric acid with two molecules of ethanol respectively.

   

Diethyl methylsuccinate

Diethyl methylsuccinate

C9H16O4 (188.1049)


   

2,4-Dimethylpimelic acid

2,4-Dimethylpimelic acid

C9H16O4 (188.1049)


   

N(2)-acetyl-L-lysine zwitterion

N(2)-acetyl-L-lysine zwitterion

C8H16N2O3 (188.1161)


An amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of N(2)-acetyl-L-lysine; major species at pH 7.3.

   

dl-Alanyl-dl-valine

dl-Alanyl-dl-valine

C8H16N2O3 (188.1161)


   

6-acetamido-2-aminohexanoic acid

6-acetamido-2-aminohexanoic acid

C8H16N2O3 (188.1161)


   

procollagen 5-hydroxy-L-lysinium(1+)

procollagen 5-hydroxy-L-lysinium(1+)

C7H14N3O3 (188.1035)


Procollagen 5-hydroxy-L-lysine protonated at the 6-amino group.

   

N-isopropyl-L-glutamine

N-isopropyl-L-glutamine

C8H16N2O3 (188.1161)


A N(5)-alkylglutamine where the alkyl group is isopropyl.

   

glycyl-L-leucine zwitterion

glycyl-L-leucine zwitterion

C8H16N2O3 (188.1161)


A dipeptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Gly-Leu. Major species at pH 7.3.

   

N(6)-acetyl-L-lysine zwitterion

N(6)-acetyl-L-lysine zwitterion

C8H16N2O3 (188.1161)


An amino acid zwitterion obtained via transfer of a proton from the carboxy to the amino group of N(6)-acetyl-L-lysine; major species at pH 7.3.

   

Ala-Val zwitterion

Ala-Val zwitterion

C8H16N2O3 (188.1161)


A dipeptide zwitterion resulting from the transfer of a proton from the carboxy to the amino group of Ala-Val; major species at pH 7.3.

   

Ile-Gly zwitterion

Ile-Gly zwitterion

C8H16N2O3 (188.1161)


A dipeptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Ile-Gly. Major species at pH 7.3.

   

Leu-Gly zwitterion

Leu-Gly zwitterion

C8H16N2O3 (188.1161)


A dipeptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Leu-Gly. Major species at pH 7.3.

   

N-isopropyl-L-glutamine zwitterion

N-isopropyl-L-glutamine zwitterion

C8H16N2O3 (188.1161)


An amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of N-isopropyl-L-glutamine; major species at pH 7.3.

   

Methylsuberic acid

Methylsuberic acid

C9H16O4 (188.1049)


   

(2s)-6-amino-2-[(1-hydroxyethylidene)amino]hexanoic acid

(2s)-6-amino-2-[(1-hydroxyethylidene)amino]hexanoic acid

C8H16N2O3 (188.1161)


   

(1s,7s)-1-(2-hydroxyethyl)-7-(hydroxymethyl)-2-oxabicyclo[2.2.1]heptan-7-ol

(1s,7s)-1-(2-hydroxyethyl)-7-(hydroxymethyl)-2-oxabicyclo[2.2.1]heptan-7-ol

C9H16O4 (188.1049)


   

1-(2-hydroxyethyl)-7-(hydroxymethyl)-2-oxabicyclo[2.2.1]heptan-7-ol

1-(2-hydroxyethyl)-7-(hydroxymethyl)-2-oxabicyclo[2.2.1]heptan-7-ol

C9H16O4 (188.1049)


   

2,4 azelaic acid

NA

C9H16O4 (188.1049)


{"Ingredient_id": "HBIN004290","Ingredient_name": "2,4 azelaic acid","Alias": "NA","Ingredient_formula": "C9H16O4","Ingredient_Smile": "C(CCCC(=O)O)CCCC(=O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42326","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

2-T-butyl-5-methyl-[1,3]dioxolane-4-carboxylic acid

NA

C9H16O4 (188.1049)


{"Ingredient_id": "HBIN006828","Ingredient_name": "2-T-butyl-5-methyl-[1,3]dioxolane-4-carboxylic acid","Alias": "NA","Ingredient_formula": "C9H16O4","Ingredient_Smile": "CC1C(OC(O1)C(C)(C)C)C(=O)O","Ingredient_weight": "188.22 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40849","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "582907","DrugBank_id": "NA"}

   

3-(2'-hydroxyethyl)-5-(2''-hydroxypropyl)-dihydrofuran-2(3h)-one

NA

C9H16O4 (188.1049)


{"Ingredient_id": "HBIN007044","Ingredient_name": "3-(2'-hydroxyethyl)-5-(2''-hydroxypropyl)-dihydrofuran-2(3h)-one","Alias": "NA","Ingredient_formula": "C9H16O4","Ingredient_Smile": "CC(CC1CC(C(=O)O1)CCO)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10104","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

4,4-dimethyl-1,7-heptanedioicacid

NA

C9H16O4 (188.1049)


{"Ingredient_id": "HBIN009945","Ingredient_name": "4,4-dimethyl-1,7-heptanedioicacid","Alias": "NA","Ingredient_formula": "C9H16O4","Ingredient_Smile": "CC(C)(CCC(=O)O)CCC(=O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6356","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

7-hydroxy-10-deoxyeucommiol

NA

C9H16O4 (188.1049)


{"Ingredient_id": "HBIN013197","Ingredient_name": "7-hydroxy-10-deoxyeucommiol","Alias": "NA","Ingredient_formula": "C9H16O4","Ingredient_Smile": "CC1=C(C(C(C1O)O)CCO)CO","Ingredient_weight": "188.22 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9987","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "641677","DrugBank_id": "NA"}

   

(3r,5s)-3-(2-hydroxyethyl)-5-[(2s)-2-hydroxypropyl]oxolan-2-one

(3r,5s)-3-(2-hydroxyethyl)-5-[(2s)-2-hydroxypropyl]oxolan-2-one

C9H16O4 (188.1049)


   

[5-(1-hydroxypropyl)oxolan-3-yl]acetic acid

[5-(1-hydroxypropyl)oxolan-3-yl]acetic acid

C9H16O4 (188.1049)


   

(2s)-2-amino-6-[(1-hydroxyethylidene)amino]hexanoic acid

(2s)-2-amino-6-[(1-hydroxyethylidene)amino]hexanoic acid

C8H16N2O3 (188.1161)


   

(2s,3s)-2-[(2-amino-1-hydroxyethylidene)amino]-3-methylpentanoic acid

(2s,3s)-2-[(2-amino-1-hydroxyethylidene)amino]-3-methylpentanoic acid

C8H16N2O3 (188.1161)


   

(3r,5r)-3-(2-hydroxyethyl)-5-[(2r)-2-hydroxypropyl]oxolan-2-one

(3r,5r)-3-(2-hydroxyethyl)-5-[(2r)-2-hydroxypropyl]oxolan-2-one

C9H16O4 (188.1049)


   

(1s,4r,7r)-1-(2-hydroxyethyl)-7-(hydroxymethyl)-2-oxabicyclo[2.2.1]heptan-7-ol

(1s,4r,7r)-1-(2-hydroxyethyl)-7-(hydroxymethyl)-2-oxabicyclo[2.2.1]heptan-7-ol

C9H16O4 (188.1049)


   

2-methylpropyl (3s)-3-hydroperoxy-2-methylidenebutanoate

2-methylpropyl (3s)-3-hydroperoxy-2-methylidenebutanoate

C9H16O4 (188.1049)


   

{[(2s,3s)-2-amino-1-hydroxy-3-methylpentylidene]amino}acetic acid

{[(2s,3s)-2-amino-1-hydroxy-3-methylpentylidene]amino}acetic acid

C8H16N2O3 (188.1161)


   

3-amino-6-[(1-hydroxyethylidene)amino]hexanoic acid

3-amino-6-[(1-hydroxyethylidene)amino]hexanoic acid

C8H16N2O3 (188.1161)


   

(2s)-2-amino-4-(isopropyl-c-hydroxycarbonimidoyl)butanoic acid

(2s)-2-amino-4-(isopropyl-c-hydroxycarbonimidoyl)butanoic acid

C8H16N2O3 (188.1161)


   

(2s)-2-[(2-amino-1-hydroxyethylidene)amino]-4-methylpentanoic acid

(2s)-2-[(2-amino-1-hydroxyethylidene)amino]-4-methylpentanoic acid

C8H16N2O3 (188.1161)


   

[(3s,5s)-5-[(1s)-1-hydroxypropyl]oxolan-3-yl]acetic acid

[(3s,5s)-5-[(1s)-1-hydroxypropyl]oxolan-3-yl]acetic acid

C9H16O4 (188.1049)


   

(3s,5s)-3-(2-hydroxyethyl)-5-[(2r)-2-hydroxypropyl]oxolan-2-one

(3s,5s)-3-(2-hydroxyethyl)-5-[(2r)-2-hydroxypropyl]oxolan-2-one

C9H16O4 (188.1049)


   

(3e,5s)-2-[(2r,3s)-3-methyloxiran-2-yl]hex-3-ene-1,2,5-triol

(3e,5s)-2-[(2r,3s)-3-methyloxiran-2-yl]hex-3-ene-1,2,5-triol

C9H16O4 (188.1049)


   

(1s,2r,5r)-5-(2-hydroxyethyl)-4-(hydroxymethyl)-3-methylcyclopent-3-ene-1,2-diol

(1s,2r,5r)-5-(2-hydroxyethyl)-4-(hydroxymethyl)-3-methylcyclopent-3-ene-1,2-diol

C9H16O4 (188.1049)


   

6-amino-2-[(1-hydroxyethylidene)amino]hexanoic acid

6-amino-2-[(1-hydroxyethylidene)amino]hexanoic acid

C8H16N2O3 (188.1161)


   

2-amino-4-(isopropyl-c-hydroxycarbonimidoyl)butanoic acid

2-amino-4-(isopropyl-c-hydroxycarbonimidoyl)butanoic acid

C8H16N2O3 (188.1161)


   

2-[4,5-bis(hydroxymethyl)-6-oxabicyclo[3.1.0]hexan-1-yl]ethanol

2-[4,5-bis(hydroxymethyl)-6-oxabicyclo[3.1.0]hexan-1-yl]ethanol

C9H16O4 (188.1049)


   

(3r,4r)-3-[(1r)-1-hydroxybutyl]-4-(hydroxymethyl)oxolan-2-one

(3r,4r)-3-[(1r)-1-hydroxybutyl]-4-(hydroxymethyl)oxolan-2-one

C9H16O4 (188.1049)


   

1-butyl 4-methyl butanedioate

1-butyl 4-methyl butanedioate

C9H16O4 (188.1049)


   

[(3r,5r)-5-[(1s)-1-hydroxypropyl]oxolan-3-yl]acetic acid

[(3r,5r)-5-[(1s)-1-hydroxypropyl]oxolan-3-yl]acetic acid

C9H16O4 (188.1049)


   

2-[(1s,4r,5r)-4,5-bis(hydroxymethyl)-6-oxabicyclo[3.1.0]hexan-1-yl]ethanol

2-[(1s,4r,5r)-4,5-bis(hydroxymethyl)-6-oxabicyclo[3.1.0]hexan-1-yl]ethanol

C9H16O4 (188.1049)


   

3-(2-hydroxyethyl)-5-(2-hydroxypropyl)oxolan-2-one

3-(2-hydroxyethyl)-5-(2-hydroxypropyl)oxolan-2-one

C9H16O4 (188.1049)


   

(2r,3r,4r)-4-[(1e,3s)-3-hydroxybut-1-en-1-yl]-2-methyloxolane-3,4-diol

(2r,3r,4r)-4-[(1e,3s)-3-hydroxybut-1-en-1-yl]-2-methyloxolane-3,4-diol

C9H16O4 (188.1049)


   

(2s)-2-{[(2s)-2-amino-1-hydroxy-3-methylbutylidene]amino}propanoic acid

(2s)-2-{[(2s)-2-amino-1-hydroxy-3-methylbutylidene]amino}propanoic acid

C8H16N2O3 (188.1161)


   

5-(2-hydroxyethyl)-4-(hydroxymethyl)-3-methylcyclopent-3-ene-1,2-diol

5-(2-hydroxyethyl)-4-(hydroxymethyl)-3-methylcyclopent-3-ene-1,2-diol

C9H16O4 (188.1049)


   

4-(3-hydroxybut-1-en-1-yl)-2-methyloxolane-3,4-diol

4-(3-hydroxybut-1-en-1-yl)-2-methyloxolane-3,4-diol

C9H16O4 (188.1049)


   

2-methylpropyl 3-hydroperoxy-2-methylidenebutanoate

2-methylpropyl 3-hydroperoxy-2-methylidenebutanoate

C9H16O4 (188.1049)


   

methyl 3-(acetyloxy)hexanoate

methyl 3-(acetyloxy)hexanoate

C9H16O4 (188.1049)


   

(2r,3e,5s)-2-[(2r,3s)-3-methyloxiran-2-yl]hex-3-ene-1,2,5-triol

(2r,3e,5s)-2-[(2r,3s)-3-methyloxiran-2-yl]hex-3-ene-1,2,5-triol

C9H16O4 (188.1049)