Classification Term: 3294

Pyrenes (ontology term: CHEMONTID:0001851)

Compounds containing a pyrene moiety, which consists four fused benzene rings, resulting in a flat aromatic system." [Wikipedia:Pyrene]

found 32 associated metabolites at class metabolite taxonomy ontology rank level.

Ancestor: Benzenoids

Child Taxonomies: Benzopyrenes

1-Hydroxypyrene

1-HYDROXYPYRENE

C16H10O (218.073161)


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].

   

Pyrene

Coal tar pitch volatiles:pyrene

C16H10 (202.078246)


Pyrene is a polycyclic aromatic hydrocarbon (PAH) consisting of four fused benzene rings, resulting in a flat aromatic system. The chemical formula is C16H10. This colourless solid is the smallest peri-fused PAH (one where the rings are fused through more than one face). Pyrene forms during incomplete combustion of organic compounds. D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes

   

1-Nitropyrene

3-Nitropyrene

C16H9NO2 (247.0633254)


CONFIDENCE standard compound; INTERNAL_ID 34 D009676 - Noxae > D009153 - Mutagens

   

Benzo[a]pyrene-9,10-oxide

4-oxahexacyclo[11.6.2.0²,⁸.0³,⁵.0¹⁰,²⁰.0¹⁷,²¹]henicosa-1(20),2(8),6,9,11,13(21),14,16,18-nonaene

C20H12O (268.0888102)


This compound belongs to the family of Pyrenes. These are compounds containing a pyrene moiety, which consists four fused benzene rings, resulting in a flat aromatic system.

   

Benzo[a]pyrene-7,8-oxide

6-oxahexacyclo[11.6.2.0²,⁸.0⁵,⁷.0¹⁰,²⁰.0¹⁷,²¹]henicosa-1,3,8,10(20),11,13(21),14,16,18-nonaene

C20H12O (268.0888102)


This compound belongs to the family of Pyrenes. These are compounds containing a pyrene moiety, which consists four fused benzene rings, resulting in a flat aromatic system.

   

Benzo[a]pyrene-7,8-diol

pentacyclo[10.6.2.0²,⁷.0⁹,¹⁹.0¹⁶,²⁰]icosa-1,3,7,9(19),10,12(20),13,15,17-nonaene-5,6-diol

C20H14O2 (286.0993744)


This compound belongs to the family of Pyrenes. These are compounds containing a pyrene moiety, which consists four fused benzene rings, resulting in a flat aromatic system.

   

Benzo[a]pyrene-7,8-dihydrodiol-9,10-oxide

4-oxahexacyclo[11.6.2.0²,⁸.0³,⁵.0¹⁰,²⁰.0¹⁷,²¹]henicosa-1(20),2(8),9,11,13(21),14,16,18-octaene-6,7-diol

C20H14O3 (302.0942894)


Benzo[a]pyrene-7,8-dihydrodiol-9,10-oxide, also known as BPDE or benzo(a)Pyrene diol epoxide, is classified as a member of the Pyrenes. Pyrenes are compounds containing a pyrene moiety, which consists four fused benzene rings, resulting in a flat aromatic system. Benzo[a]pyrene-7,8-dihydrodiol-9,10-oxide is considered to be practically insoluble (in water) and relatively neutral. It is a carcinogenic metabolite of benzo[a]pyrene (BaP) which forms adducts with DNA and proteins and is hydrolysed to BPDE tetrols. It is used as a marker for BaP exposure (a surrogate marker for PAHs). D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens

   

1-Methoxypyrene

1-Methoxypyrene

C17H12O (232.08881019999998)


This compound belongs to the family of Pyrenes. These are compounds containing a pyrene moiety, which consists four fused benzene rings, resulting in a flat aromatic system.

   

1,6-Dimethoxypyrene

1,6-Dimethoxypyrene

C18H14O2 (262.0993744)


This compound belongs to the family of Pyrenes. These are compounds containing a pyrene moiety, which consists four fused benzene rings, resulting in a flat aromatic system.

   

1-Hydroxy-6-methoxypyrene

1-Hydroxy-6-methoxypyrene

C17H12O2 (248.0837252)


This compound belongs to the family of Pyrenes. These are compounds containing a pyrene moiety, which consists four fused benzene rings, resulting in a flat aromatic system.

   

Indeno[1,2,3-cd]pyrene

hexacyclo[16.3.1.0^{2,7}.0^{8,21}.0^{11,20}.0^{14,19}]docosa-1(22),2,4,6,8(21),9,11(20),12,14(19),15,17-undecaene

C22H12 (276.0938952)


   

1-Aminopyrene

1-Pyrenylamine (acd/name 4.0)

C16H11N (217.0891446)


1-aminopyrene belongs to the family of Pyrenes. These are compounds containing a pyrene moiety, which consists four fused benzene rings, resulting in a flat aromatic system.

   

1-Hydroxypyrene glucuronide

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(pyren-1-yloxy)oxane-2-carboxylic acid

C22H18O7 (394.1052478)


1-Hydroxypyrene glucuronide belongs to the family of Pyrenes. These are compounds containing a pyrene moiety, which consists four fused benzene rings, resulting in a flat aromatic system

   

1-Methylpyrene

1-METHYLPYRENE

C17H12 (216.0938952)


   

1-Pyrenebutyric acid

4-(pyren-1-yl)butanoic acid

C20H16O2 (288.1150236)


   

1-Pyrenecarboxaldehyde

1-Pyrenecarboxaldehyde

C17H10O (230.073161)


   

Pyrenedecanoic acid

10-(pyren-1-yl)decanoic acid

C26H28O2 (372.2089188)


   

1-Pyrenemethanol

1-Hydroxymethylpyrene

C17H12O (232.08881019999998)


   

1-Pyrenyldiazomethane

1-(diazomethyl)pyrene

C17H10N2 (242.084394)


   

1-Sulfooxymethylpyrene

1-Sulfooxymethylpyrene, sodium salt

C17H12O4S (312.0456272)


   

1,3-Dipyrenylpropane

1-[3-(pyren-1-yl)propyl]pyrene

C35H24 (444.1877904)


   

2,5-Dioxopyrrolidin-1-YL 4-(pyren-1-YL)butanoate

2,5-Dioxopyrrolidin-1-yl 4-(pyren-1-yl)butanoic acid

C24H19NO4 (385.1314014000001)


   

N-(1-Pyrenyl)iodoacetamide

2-IODO-N-(PYREN-1-YL)ACETAMIDE

C18H12INO (384.9963612)


D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D009676 - Noxae > D000477 - Alkylating Agents > D007461 - Iodoacetates D004396 - Coloring Agents > D005456 - Fluorescent Dyes

   

8-Aminopyrene-1,3,6-trisulfonic Acid

8-Aminopyrene-1,3,6-trisulphonic acid

C16H11NO9S3 (456.9595956)


   

8-Hydroxypyrene-1,3,6-trisulfonic acid

8-Hydroxy-1,3,6-pyrenetrisulfonic acid trisodium salt

C16H10O10S3 (457.94361200000003)


D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D000074385 - Food Ingredients > D005503 - Food Additives D004396 - Coloring Agents > D005456 - Fluorescent Dyes

   

Aminonitropyrene

1-nitropyren-2-amine

C16H10N2O2 (262.074224)


   

Benzo[alpha]pyrene

pentacyclo[6.6.2.0^{2,7}.0^{4,16}.0^{11,15}]hexadeca-1(14),2(7),3,5,8(16),9,11(15),12-octaene

C16H8 (200.0625968)


   

Diaminopyrene

pyrene-1,2-diamine

C16H12N2 (232.1000432)


   

Dinitropyrene

1,2-dinitropyrene

C16H8N2O4 (292.0484048)


   

N-(1-Pyrenyl)maleimide

1-(pyren-1-yl)-2,5-dihydro-1H-pyrrole-2,5-dione

C20H11NO2 (297.0789746)


   

N-(3-Pyrene)maleimide

1-(pyren-4-yl)-2,5-dihydro-1H-pyrrole-2,5-dione

C20H11NO2 (297.0789746)


D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes D004791 - Enzyme Inhibitors

   

(2S,3S,4S,5R)-3,4,5-Trihydroxy-6-pyren-1-yloxyoxane-2-carboxylic acid

(2S,3S,4S,5R)-3,4,5-Trihydroxy-6-pyren-1-yloxyoxane-2-carboxylic acid

C22H18O7 (394.1052478)