Exact Mass: 218.0776876

1-Hydroxypyrene is a metabolite of the noncarcinogen pyrene found in urine that is always a component of PAH mixtures. 1-hydroxypyrene is an accepted biomarker of carcinogenic Polycyclic aromatic hydrocarbons (PAH) dose(PMID: 15159317). PAH are a diverse group of environmental carcinogens formed during the incomplete combustion of organic matter. PAHs are believed to play an important role as causes of human cancer, particularly in certain occupational settings and in cigarette smokers. (PMID: 15247141) [HMDB] 1-Hydroxypyrene is a metabolite of the noncarcinogen pyrene found in urine that is always a component of PAH mixtures. 1-Hydroxypyrene is an accepted biomarker of carcinogenic polycyclic aromatic hydrocarbons (PAHs) dose (PMID: 15159317). PAHs are a diverse group of environmental carcinogens formed during the incomplete combustion of organic matter. PAHs are believed to play an important role as causes of human cancer, particularly in certain occupational settings and in cigarette smokers (PMID: 15247141). CONFIDENCE standard compound; INTERNAL_ID 500; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5366; ORIGINAL_PRECURSOR_SCAN_NO 5365 CONFIDENCE standard compound; INTERNAL_ID 500; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5365; ORIGINAL_PRECURSOR_SCAN_NO 5363 CONFIDENCE standard compound; INTERNAL_ID 500; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5373; ORIGINAL_PRECURSOR_SCAN_NO 5371 CONFIDENCE standard compound; INTERNAL_ID 500; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5353; ORIGINAL_PRECURSOR_SCAN_NO 5351 CONFIDENCE standard compound; INTERNAL_ID 500; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5367; ORIGINAL_PRECURSOR_SCAN_NO 5365 CONFIDENCE standard compound; INTERNAL_ID 500; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5334; ORIGINAL_PRECURSOR_SCAN_NO 5333 CONFIDENCE standard compound; INTERNAL_ID 44 D009676 - Noxae > D009153 - Mutagens 1-Hydroxypyrene, a biomarker of exposure to polycyclic aromatic hydrocarbons (PAHs), is analyzed in urine samples. 1-Hydroxypyrene is the major biomarker of exposure to pyrenes[1].

2,6-dioxo-6-phenylhexa-3-enoate

2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid

H-GAMMA-GLU-ALA-OH

L-gamma-glutamyl-D-alanine

Dihydroeuparin

5-Acetyl-6-hydroxy-2-isopropenyl-2,3-dihydrobenzofuran

Toxol

NSC247530

Eupatoriochromene

Desmethylencecalin

Aristolindiquinone

Baldrinal

Cyclopenta[c]pyran-7-carboxaldehyde, 4-(hydroxymethyl)-, acetate

Baldrinal is an arenecarbaldehyde. Baldrinal is a natural product found in Nardostachys jatamansi, Valeriana officinalis, and other organisms with data available. Baldrinal is derived from the extracts of valerian rhizomes and roots, inhibits autonomic activity, and has anti-inflammatory effects[1].

Pyrene-1,2-oxide

2-Pyrenol

2-HYDROXYPYRENE

2,7-dihydroxy-5-methyl-1-naphthoic acid

A member of the class of naphthoic acids that is 1-naphthoic acid substituted at positions 2 and 7 by hydroxy groups and at position 5 by a methyl group.

Alanylglutamic acid

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

Alanylglutamic acid is a dipeptide composed of alanine and glutamic acid. 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. Ala-Glu-OH is an agent of the dipeptide[1][2].

Ala-Glu-OH

Alanine glutamate

Ala-Glu-OH is an agent of the dipeptide[1][2].

Pyrene-4,5-oxide

Pyrene-4,5-epoxide

Piperic acid

(2E,4Z)-5-(2H-1,3-benzodioxol-5-yl)penta-2,4-dienoic acid

obtained from black pepper (Piper nigrum), from Minthostachys verticillata, peppermint (Mentha piperita) and others. Piperic acid is found in herbs and spices and pepper (spice). Piperic acid is found in herbs and spices. Piperic acid is obtained from black pepper (Piper nigrum), from Minthostachys verticillata, peppermint (Mentha piperita) and others.

Triacetin

2-(Acetyloxy)-1-[(acetyloxy)methyl]ethyl acetic acid

C9H14O6 (218.0790344)

Triacetin is found in fruits. Triacetin is a flavouring agent, adjuvant; formulation aid, humectant, solvent and vehicle. Triacetin is present in papaya (Carica papaya Triacetin is a flavouring agent, and an adjuvant. It is found in papaya (Carica papaya) and fruits. D000890 - Anti-Infective Agents > D000935 - Antifungal Agents D012997 - Solvents Triacetin is a synthetic compound that is a triester of glycerol and acetic acid.

gamma-Glutamylalanine

(2S)-2-amino-4-{[(1S)-1-carboxyethyl]carbamoyl}butanoic acid

gamma-Glutamylalanine is a dipeptide composed of gamma-glutamate and alanine, and is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. gamma-Glutamylalanine is a natural substrate of the enzyme (5-L-glutamyl)-L-amino acid 5-glutamyltransferase (cyclizing) (g-glutamylcyclotransferase, EC 2.3.2.2) in the glutathione metabolism pathway, which cleaves gamma-glutamylalanine to produce L-5-oxoproline. gamma-Glutamylcyclotransferase is widely distributed in both human and animal tissues where it catalyzes the scission of the y-peptide bonds of many different gamma-glutamyl-amino acids and gamma-glutamyl-gamma-glutamyl-amino acids. The latter are better substrates of the enzyme than the corresponding gamma-glutamyl-amino acids (PMID: 2570694, 2893631). 5-L-Glutamyl-L-alanine is a natural substrate of the enzyme 5-L-glutamyl)-L-amino acid 5-glutamyltransferase (cyclizing) (g-glutamylcyclotransferase, EC 2.3.2.2) in the glutathione metabolism pathway, which cleaves 5-L-Glutamyl-L-alanine, producing L-5-oxoproline. gamma-Glutamylcyclotransferase is widely distributed in both human and animal tissues where it catalyzes the scission of the y-peptide bonds of many different gamma-glutamyl-aminoacids and gamma-glutamyl-gamma-glutamyl-amino-acids. The latter are better substrates of the enzyme than the corresponding gamma-glutamyl - amino-acids. (PMID: 2570694, 2893631) [HMDB]

(R)-Bitalin A

1-[2-(3-hydroxyprop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethan-1-one

(R)-Bitalin A is found in herbs and spices. (R)-Bitalin A is a constituent of Helichrysum italicum (curry plant). Constituent of Helichrysum italicum (curry plant). (R)-Bitalin A is found in tea and herbs and spices.

Glutamylalanine

(4S)-4-amino-4-{[(1S)-1-carboxyethyl]carbamoyl}butanoic acid

Glutamylalanine is a naturally occurring dipeptide, composed of glutamate and alanine. Glutamylalanine is essential in the supply of glutamate to human erythrocytes. Human erythrocytes are essentially impermeable to glutamate and yet there is a continual requirement for the amino acid for glutathione synthesis. In addition, the intracellular glutamate concentration is approximately five times that of plasma. Glutamylalanine enters the human erythrocyte through saturable membrane-transport systems describable by Michaelis-Menten kinetics. The cytosolic red cell peptidases have a vast capacity to hydrolyse the dipeptide in a process also describable by simple Michaelis-Menten kinetics. The transport process is the rate-determining step in the pathway leading to the production of intracellular glutamate from extracellular glutamylalanine. Glutamylalanine is transported by the human oligopeptide transporter, hPepT1, situated in the small intestine, which is involved in the absorption of nutrient oligopeptides and transports numerous di- and tripeptides. This active transport is being tested for use as a strategy to increase the permeability across the intestine for larger biologically active molecules with low intestinal permeability, in a therapeutic attempt to transport dipeptide-coupled active drug substances via hPepT1 (PMID: 2860897, 11557350).

Cysteinyl-Proline

1-(2-amino-3-sulfanylpropanoyl)pyrrolidine-2-carboxylic acid

C8H14N2O3S (218.0725094)

Cysteinyl-Proline is a dipeptide composed of cysteine and proline. 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.

Hydroxyprolyl-Serine

3-Hydroxy-2-{[hydroxy(4-hydroxypyrrolidin-2-yl)methylidene]amino}propanoate

Hydroxyprolyl-Serine is a dipeptide composed of hydroxyproline and serine. 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.

Prolyl-Cysteine

2-{[hydroxy(pyrrolidin-2-yl)methylidene]amino}-3-sulphanylpropanoic acid

C8H14N2O3S (218.0725094)

Prolyl-Cysteine is a dipeptide composed of proline and cysteine. 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.

Serylhydroxyproline

(2S,4R)-1-[(2S)-2-amino-3-hydroxypropanoyl]-4-hydroxypyrrolidine-2-carboxylic acid

Serylhydroxyproline is a dipeptide composed of serine and hydroxyproline. 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.

(S)-3-[(Cyanophenylmethyl)amino]-3-oxopropanoic acid

2-{[cyano(phenyl)methyl]-C-hydroxycarbonimidoyl}acetate

(S)-3-[(Cyanophenylmethyl)amino]-3-oxopropanoic acid is found in pulses. (S)-3-[(Cyanophenylmethyl)amino]-3-oxopropanoic acid is a metabolite of Phoxim GGL75-E formed by soybean plants and cell culture Metabolite of Phoxim GGL75-E formed by soybean plants and cell cultures. (S)-3-[(Cyanophenylmethyl)amino]-3-oxopropanoic acid is found in pulses.

N-gamma-L-Glutamyl-D-alanine

2-Amino-5-[(1-carboxyethyl)amino]-5-oxopentanoic acid

N-gamma-L-Glutamyl-D-alanine is found in pulses. N-gamma-L-Glutamyl-D-alanine is isolated from young pea shoots Pisum sativu Isolated from young pea shoots Pisum sativum. N-gamma-L-Glutamyl-D-alanine is found in pulses and common pea.

4-[4-(Dimethylamino)phenyl]-3H-1,2,4-triazole-3,5(4H)-dione

4-[4-(dimethylamino)phenyl]-4,5-dihydro-3H-1,2,4-triazole-3,5-dione

C10H10N4O2 (218.080372)

3,7-Dimethyl-1-propargylxanthine

3,7-dimethyl-1-(prop-2-yn-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

C10H10N4O2 (218.080372)

D018377 - Neurotransmitter Agents > D058905 - Purinergic Agents > D058914 - Purinergic Antagonists

9-Anthryldiazomethane

9-(diazomethyl)anthracene

C15H10N2 (218.084394)

D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes

(S,E)-2-(5-Hydroxy-8,9-dihydro-5H-benzo[7]annulen-6(7H)-ylidene)acetic acid

Metallibure

N-{[methylthio(carbonoimidyl)]amino}but-3-ene-2-carbamimidothioate

C7H14N4S2 (218.0659844)

Propranolol glycol

3-(naphthalen-1-yloxy)propane-1,2-diol

Asperfuran

(-)-Asperfuran

Methyl 2,2-dimethyl-2H-1-chromene-6-carboxylate

Quindoline

C15H10N2 (218.084394)

7-Hydroxy eucommic acid

C9H14O6 (218.0790344)

Caulibugulone D

Vasicinolone

Pyrrolo(2,1-b)quinazolin-9(1H)-one, 2,3-dihydro-3,7-dihydroxy-, (3S)-

Pyrrolo(2,1-b)quinazolin-9(1H)-one, 2,3-dihydro-3,7-dihydroxy-, (3S)- is a natural product found in Justicia adhatoda with data available.

5,6-dimethoxy-2-isopropenylbenzofuran

5,6-Dimethoxy-2-(1-methylethenyl)-1-benzofuran

1,2,4-trimethoxynaphthalene

6-Hydroxytremetone

Hydroxytremetone

(-)-Hydroxytremetone

C9H9F3N2O (218.06669399999998)

MLS000105588

1-o-Tolyl-pyrimidine-2,4,6-trione

Indolo[2,3-a]quinolizine

C15H10N2 (218.084394)

2-(1-Methylethenyl)-5-hydroxy-6-acetyl-2,3-dihydrobenzofuran

Tri-Me ether,dinitrile-3,5-Di-Me ether-3,4,5-Trihydroxy-1,2-benzenedicarboxylic acid