Exact Mass: 188.1160866

Exact Mass Matches: 188.1160866

Found 226 metabolites which its exact mass value is equals to given mass value 188.1160866, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Glycylleucine

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

C8H16N2O3 (188.11608660000002)


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 (188.1160866)


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 (188.1160866)


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 (188.11608660000002)


   

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

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

C8H16N2O3 (188.11608660000002)


   

Alanylvaline

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

C8H16N2O3 (188.11608660000002)


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 (188.11608660000002)


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

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

C8H16N2O3 (188.11608660000002)


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.

   

5-Methyl-2-phenyl-2-hexenal

a-(3-Methylbutylidene)benzeneacetaldehyde, 9ci

C13H16O (188.12010859999998)


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.

   

Valylalanine

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

C8H16N2O3 (188.11608660000002)


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 (188.11608660000002)


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.

   

2-Butyl-3-phenyl-2-propen-1-al

(2Z)-2-(phenylmethylidene)hexanal

C13H16O (188.12010859999998)


2-Butyl-3-phenyl-2-propen-1-al is a food flavorant.

   

3-Buten-2-one 1-(2,3,6-trimethyl phenyl)

3-Buten-2-one 1-(2,3,6-trimethyl phenyl)

C13H16O (188.12010859999998)


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

C13H16O (188.12010859999998)


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

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

C8H16N2O3 (188.11608660000002)


   

alpha-Acetyllysine

2-acetyl-2,6-diaminohexanoic acid

C8H16N2O3 (188.11608660000002)


   

(+/-)-2-Phenyl-4-methyl-2-hexenal

(+/-)-2-Phenyl-4-methyl-2-hexenal

C13H16O (188.12010859999998)


It is used as a food additive .

   

(3Z)-4-(2,3,6-trimethylphenyl)-3-buten-2-one

(3Z)-4-(2,3,5-trimethylphenyl)but-3-en-2-one

C13H16O (188.12010859999998)


Flavouring compound [Flavornet]

   

DIBOA tetrahexose

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

C8H16N2O3 (188.11608660000002)


   

3,3,5,6-Tetramethyl-1-indanone

3,3,5,6-Tetramethyl-1-indanone

C13H16O (188.12010859999998)


   
   

5,11-Tridecadiene-7,9-diyn-4-ol|Aethusanol A

5,11-Tridecadiene-7,9-diyn-4-ol|Aethusanol A

C13H16O (188.12010859999998)


   

4-(2,3,6-Trimethylphenyl)but-3-en-2-one

4-(2,3,6-Trimethylphenyl)but-3-en-2-one

C13H16O (188.12010859999998)


   

(E)-1,5-Tridecadiene-7,9-diyn-4-ol|trans-Trideca-1,5-dien-7,9-diin-4-ol

(E)-1,5-Tridecadiene-7,9-diyn-4-ol|trans-Trideca-1,5-dien-7,9-diin-4-ol

C13H16O (188.12010859999998)


   

@2,3-dihydro-aethusanol-B|Dihydroaethusanol B|trideca-8t,10t-diene-4,6-diyn-1-ol

@2,3-dihydro-aethusanol-B|Dihydroaethusanol B|trideca-8t,10t-diene-4,6-diyn-1-ol

C13H16O (188.12010859999998)


   

2-(1-phenylethyl)-3,6-dihydro-2H-pyran

2-(1-phenylethyl)-3,6-dihydro-2H-pyran

C13H16O (188.12010859999998)


   
   
   
   

4-(3,3-dimethylpenta-1,4-dienyl)phenol

4-(3,3-dimethylpenta-1,4-dienyl)phenol

C13H16O (188.12010859999998)


   

AC-Lys-OH

N-alpha-Acetyl-L-lysine

C8H16N2O3 (188.11608660000002)


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.

   
   
   

N6-acetyl-L-lysine

N(6)-acetyl-L-lysine

C8H16N2O3 (188.11608660000002)


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 (188.11608660000002)


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 (188.11608660000002)


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

   

Gly-ile

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

C8H16N2O3 (188.11608660000002)


A dipeptide formed from glycine and L-isoleucine residues.

   

Gly-leu

Gly-leu

C8H16N2O3 (188.11608660000002)


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

   
   
   

N-Alpha-acetyllysine

N-Alpha-acetyllysine

C8H16N2O3 (188.11608660000002)


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.

   

Leucylglycine

Leucylglycine

C8H16N2O3 (188.11608660000002)


Annotation level-2

   
   
   
   
   
   
   
   
   
   
   
   
   

Ile-gly

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

C8H16N2O3 (188.11608660000002)


A dipeptide formed from L-isoleucine and glycine residues.

   

Leu-gly

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

C8H16N2O3 (188.11608660000002)


A dipeptide formed from L-leucine and glycine residues.

   

Val-ala

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

C8H16N2O3 (188.11608660000002)


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

   

FEMA 3199

a-(3-Methylbutylidene)benzeneacetaldehyde, 9ci

C13H16O (188.12010859999998)


   

FEMA 2191

(2Z)-2-(phenylmethylidene)hexanal

C13H16O (188.12010859999998)


   

3-Buten-2-one 1-(2,3,6-trimethyl phenyl)

3-Buten-2-one 1-(2,3,6-trimethyl phenyl)

C13H16O (188.12010859999998)


   

3,3,5,6-tetramethyl-2,3-dihydro-1H-inden-1-one

1-H-Inden-1-one,2,3-dihydro-3,3,5,6-tetramethyl

C13H16O (188.12010859999998)


   

1-(2,3,6-trimethylphenyl)but-3-en-2-one

1-(2,3,6-trimethyl phenyl)-3-Buten-2-one

C13H16O (188.12010859999998)


   

FAL 13:5

2-tridecene-4,7-diynal

C13H16O (188.12010859999998)


   

(1-phenylpyrazol-4-yl)methylhydrazine

(1-phenylpyrazol-4-yl)methylhydrazine

C10H12N4 (188.10619119999998)


   

5-phenyl-2-propan-2-yltetrazole

5-phenyl-2-propan-2-yltetrazole

C10H12N4 (188.10619119999998)


   

ALPHA,ALPHA-DICYCLOPROPYLBENZENEMETHANOL

ALPHA,ALPHA-DICYCLOPROPYLBENZENEMETHANOL

C13H16O (188.12010859999998)


   

trimethylsilyl 3,3-dimethylbutanoate

trimethylsilyl 3,3-dimethylbutanoate

C9H20O2Si (188.12325000000004)


   
   

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

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

C10H12N4 (188.10619119999998)


   
   

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

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

C9H17ClN2 (188.1080192)


   
   

1-Eth-1-ynyl-4-(pentyloxy)benzene

1-Eth-1-ynyl-4-(pentyloxy)benzene

C13H16O (188.12010859999998)


   

H-Gly-Ile-OH

N-Glycyl-L-isoleucine

C8H16N2O3 (188.11608660000002)


   
   

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

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

C10H12N4 (188.10619119999998)


   

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

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

C8H16N2O3 (188.11608660000002)


   

(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 (188.10619119999998)


   
   

(1-Allyloxy-but-3-enyl)-benzene

(1-Allyloxy-but-3-enyl)-benzene

C13H16O (188.12010859999998)


   
   

3-methyl-1-phenyl-2-hexene 1,5-epoxide

3-methyl-1-phenyl-2-hexene 1,5-epoxide

C13H16O (188.12010859999998)


   

((1-ETHOXY-2-METHYLPROP-1-EN-1-YL)OXY)TRIMETHYLSILANE

((1-ETHOXY-2-METHYLPROP-1-EN-1-YL)OXY)TRIMETHYLSILANE

C9H20O2Si (188.12325000000004)


   

tert-butyl-(1-methoxyethenoxy)-dimethylsilane

tert-butyl-(1-methoxyethenoxy)-dimethylsilane

C9H20O2Si (188.12325000000004)


   
   
   

1,1,3,3-tetramethylinden-2-one

1,1,3,3-tetramethylinden-2-one

C13H16O (188.12010859999998)


   
   

3-(tert-butyldimethylsilyloxy)propanal

3-(tert-butyldimethylsilyloxy)propanal

C9H20O2Si (188.12325000000004)


   
   

6-ACETYL-7-METHYL-1,2,3,4-TETRAHYDRONAPHTHALENE

6-ACETYL-7-METHYL-1,2,3,4-TETRAHYDRONAPHTHALENE

C13H16O (188.12010859999998)


   

4-PHENYLCYCLOHEXANECARBALDEHYDE

4-PHENYLCYCLOHEXANECARBALDEHYDE

C13H16O (188.12010859999998)


   
   

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

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

C10H12N4 (188.10619119999998)


   
   
   

1,3-diisopropylimidazol-1-ium chloride

1,3-diisopropylimidazol-1-ium chloride

C9H17ClN2 (188.1080192)


   

2-METHYL-6-PHENYL-CYCLOHEXANONE

2-METHYL-6-PHENYL-CYCLOHEXANONE

C13H16O (188.12010859999998)


   
   

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 (188.10619119999998)


   

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 (188.118962224)


   

1-Hexen-3-one,5-methyl-1-phenyl-

1-Hexen-3-one,5-methyl-1-phenyl-

C13H16O (188.12010859999998)


   

5-tert-butyl-2,3-dihydroinden-1-one

5-tert-butyl-2,3-dihydroinden-1-one

C13H16O (188.12010859999998)


   

(E)-1,4-BIS(-4-BROMOSTYRYL)BENZENE

(E)-1,4-BIS(-4-BROMOSTYRYL)BENZENE

C13H16O (188.12010859999998)


   

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

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

C10H12N4 (188.10619119999998)


   
   

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

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

C10H12N4 (188.10619119999998)


   

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

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

C10H12N4 (188.10619119999998)


   
   

Methanone,cyclopropyl[4-(1-methylethyl)phenyl]-

Methanone,cyclopropyl[4-(1-methylethyl)phenyl]-

C13H16O (188.12010859999998)


   

4-(4-ISOPROPYLPHENYL)BUT-3-EN-2-ONE

4-(4-ISOPROPYLPHENYL)BUT-3-EN-2-ONE

C13H16O (188.12010859999998)


   

Acetic acid,2-(trimethylsilyl)-, 1,1-dimethylethyl ester

Acetic acid,2-(trimethylsilyl)-, 1,1-dimethylethyl ester

C9H20O2Si (188.12325000000004)


   

tert-butyldimethylsilyl (r)-(-)-glycidy&

tert-butyldimethylsilyl (r)-(-)-glycidy&

C9H20O2Si (188.12325000000004)


   

ethyl 2-methyl-2-trimethylsilyl-propanoate

ethyl 2-methyl-2-trimethylsilyl-propanoate

C9H20O2Si (188.12325000000004)


   

tert-butyldimethylsilyl (s)-(-)-glycidy&

tert-butyldimethylsilyl (s)-(-)-glycidy&

C9H20O2Si (188.12325000000004)


   
   

4-benzyloxy-3,3-dimethylbut-1-yne

4-benzyloxy-3,3-dimethylbut-1-yne

C13H16O (188.12010859999998)


   

(α,β,β,2,3,5,6-2H7)Tyrosine

(α,β,β,2,3,5,6-2H7)Tyrosine

C9H4D7NO3 (188.117829846)


   

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

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

C10H12N4 (188.10619119999998)


   

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

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

C10H12N4 (188.10619119999998)


   

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 (188.1095616)


   

2-methyl-2-phenylcyclohexan-1-one

2-methyl-2-phenylcyclohexan-1-one

C13H16O (188.12010859999998)


   

3-(4-TERT-BUTYL-PHENYL)-PROPENAL

3-(4-TERT-BUTYL-PHENYL)-PROPENAL

C13H16O (188.12010859999998)


   

(S)-2-(TERT-BUTYL-DIMETHYL-SILANYLOXY)-PROPIONALDEHYDE

(S)-2-(TERT-BUTYL-DIMETHYL-SILANYLOXY)-PROPIONALDEHYDE

C9H20O2Si (188.12325000000004)


   
   

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 (188.10619119999998)


   

(R)-2-(TERT-BUTYL-DIMETHYL-SILANYLOXY)-PROPIONALDEHYDE

(R)-2-(TERT-BUTYL-DIMETHYL-SILANYLOXY)-PROPIONALDEHYDE

C9H20O2Si (188.12325000000004)


   
   
   

7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one

7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one

C13H16O (188.12010859999998)


   

1-Phenyl-3-methoxy-1,5-hexadiene

((CHLOROMETHYL)PHENYLETHYL)TRIMETHOXYSILANE

C13H16O (188.12010859999998)


   
   

Cyclohexyldimethoxy(methyl)silane

Cyclohexyldimethoxy(methyl)silane

C9H20O2Si (188.12325000000004)


   

1-((TERT-BUTYLDIMETHYLSILYL)OXY)PROPAN-2-ONE

1-((TERT-BUTYLDIMETHYLSILYL)OXY)PROPAN-2-ONE

C9H20O2Si (188.12325000000004)


   

butyl(3-carboxypropyl)nitrosamine

butyl(3-carboxypropyl)nitrosamine

C8H16N2O3 (188.11608660000002)


D009676 - Noxae > D002273 - Carcinogens

   
   
   

(2E)-1-(2,3,6-Trimethylphenyl)-2-buten-1-one

(2E)-1-(2,3,6-Trimethylphenyl)-2-buten-1-one

C13H16O (188.12010859999998)


   

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

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

C10H12N4 (188.10619119999998)


   

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

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

C8H16N2O3 (188.11608660000002)


   

tert-butyldimethylsilyl glycidyl ether

tert-butyldimethylsilyl glycidyl ether

C9H20O2Si (188.12325000000004)


   

1-(1,1-dimethyl-2,3-dihydroinden-5-yl)ethanone

1-(1,1-dimethyl-2,3-dihydroinden-5-yl)ethanone

C13H16O (188.12010859999998)


   

2,2,5,7-tetramethyl-3H-inden-1-one

2,2,5,7-tetramethyl-3H-inden-1-one

C13H16O (188.12010859999998)


   

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 (188.10619119999998)


   

1-Penten-3-one,4,4-dimethyl-1-phenyl-

1-Penten-3-one,4,4-dimethyl-1-phenyl-

C13H16O (188.12010859999998)


   

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

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

C13D8O (188.107729224)


   

3-(tert-Butoxycarbonylamino)propanamide

3-(tert-Butoxycarbonylamino)propanamide

C8H16N2O3 (188.11608660000002)


   
   
   
   

1-(2,3,6-Trimethylphenyl)-3-buten-2-one

1-(2,3,6-Trimethylphenyl)-3-buten-2-one

C13H16O (188.12010859999998)


   

S-Octyl ethanethioate

S-Octyl ethanethioate

C10H20OS (188.123479)


A thioacetate ester of octane-1-thiol.

   

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

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

C10H12N4 (188.10619119999998)


   

Hexanoic acid, trimethylsilyl ester

Hexanoic acid, trimethylsilyl ester

C9H20O2Si (188.12325000000004)


   

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

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

C8H16N2O3 (188.11608660000002)


   

Pentane, 2-methyl-4-keto-2-trimethylsiloxy-

Pentane, 2-methyl-4-keto-2-trimethylsiloxy-

C9H20O2Si (188.12325000000004)


   

4-[(Trimethylsilyl)oxy]cyclohexanol

4-[(Trimethylsilyl)oxy]cyclohexanol

C9H20O2Si (188.12325000000004)


   

[3-(1,3,2-Dioxaborolan-2-yloxy)propyl]guanidine

[3-(1,3,2-Dioxaborolan-2-yloxy)propyl]guanidine

C6H15BN3O3+ (188.120641)


   

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

C13H16O (188.12010859999998)


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.

   
   

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

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

C8H16N2O3 (188.11608660000002)


   
   
   

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

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

C8H16N2O3 (188.11608660000002)


   

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

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

C8H16N2O3 (188.11608660000002)


   

Benzeneacetaldehyde, a-(2-methylbutylidene)-

Benzeneacetaldehyde, a-(2-methylbutylidene)-

C13H16O (188.12010859999998)


   
   

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

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

C8H16N2O3 (188.11608660000002)


   
   

2-Methylpentanoic acid trimethylsilyl ester

2-Methylpentanoic acid trimethylsilyl ester

C9H20O2Si (188.12325000000004)


   

4-Methylvaleric acid, trimethylsilyl ester

4-Methylvaleric acid, trimethylsilyl ester

C9H20O2Si (188.12325000000004)


   
   
   

1-Butylbicyclo(3.2.2)nona-3,6,8-trien-2-one

1-Butylbicyclo(3.2.2)nona-3,6,8-trien-2-one

C13H16O (188.12010859999998)


   

H-Gly-Leu-OH

Glycyl-L-leucine

C8H16N2O3 (188.11608660000002)


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 (188.11608660000002)


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 (188.11608660000002)


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 (188.11608660000002)


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.

   
   

2-Benzylidenehexanal

2-(Phenylmethylene)hexanal

C13H16O (188.12010859999998)


   

N(2)-acetyl-L-lysine zwitterion

N(2)-acetyl-L-lysine zwitterion

C8H16N2O3 (188.11608660000002)


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.

   
   
   

N-isopropyl-L-glutamine

N-isopropyl-L-glutamine

C8H16N2O3 (188.11608660000002)


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

   

glycyl-L-leucine zwitterion

glycyl-L-leucine zwitterion

C8H16N2O3 (188.11608660000002)


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 (188.11608660000002)


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 (188.11608660000002)


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 (188.11608660000002)


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 (188.11608660000002)


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 (188.11608660000002)


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.

   
   

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

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

C8H16N2O3 (188.11608660000002)


   

(8e,10e)-trideca-8,10-dien-4,6-diyn-1-ol

(8e,10e)-trideca-8,10-dien-4,6-diyn-1-ol

C13H16O (188.12010859999998)


   

2,3,4,5,-trimethylphenyl-2-butene

NA

C13H16O (188.12010859999998)


{"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"}

   

4-(3,3-dimethyl-1,4-pentadienyl)phenol

NA

C13H16O (188.12010859999998)


{"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"}

   

benzene,[1-(2-propenyloxy)-3-butenyl]

NA

C13H16O (188.12010859999998)


{"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"}

   

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

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

C8H16N2O3 (188.11608660000002)


   

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

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

C8H16N2O3 (188.11608660000002)


   

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

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

C8H16N2O3 (188.11608660000002)


   

trideca-8,10-dien-4,6-diyn-1-ol

trideca-8,10-dien-4,6-diyn-1-ol

C13H16O (188.12010859999998)


   

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

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

C8H16N2O3 (188.11608660000002)


   

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

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

C8H16N2O3 (188.11608660000002)


   

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

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

C8H16N2O3 (188.11608660000002)


   

(4r,5e)-trideca-1,5-dien-7,9-diyn-4-ol

(4r,5e)-trideca-1,5-dien-7,9-diyn-4-ol

C13H16O (188.12010859999998)


   

trideca-1,5-dien-7,9-diyn-4-ol

trideca-1,5-dien-7,9-diyn-4-ol

C13H16O (188.12010859999998)


   

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

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

C8H16N2O3 (188.11608660000002)


   

trideca-5,11-dien-7,9-diyn-4-ol

trideca-5,11-dien-7,9-diyn-4-ol

C13H16O (188.12010859999998)


   

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

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

C8H16N2O3 (188.11608660000002)


   
   

4-[(1e)-3,3-dimethylpenta-1,4-dien-1-yl]phenol

4-[(1e)-3,3-dimethylpenta-1,4-dien-1-yl]phenol

C13H16O (188.12010859999998)


   

(4r,5e,11e)-trideca-5,11-dien-7,9-diyn-4-ol

(4r,5e,11e)-trideca-5,11-dien-7,9-diyn-4-ol

C13H16O (188.12010859999998)


   

1-(but-3-en-1-yl)-2,3-dihydroinden-1-ol

1-(but-3-en-1-yl)-2,3-dihydroinden-1-ol

C13H16O (188.12010859999998)


   

4-ethenyl-2-(3-methylbut-2-en-1-yl)phenol

4-ethenyl-2-(3-methylbut-2-en-1-yl)phenol

C13H16O (188.12010859999998)


   

(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 (188.11608660000002)


   

4-(3,3-dimethylpenta-1,4-dien-1-yl)phenol

4-(3,3-dimethylpenta-1,4-dien-1-yl)phenol

C13H16O (188.12010859999998)