SysBioChalmers / Human-GEM

The generic genome-scale metabolic model of Homo sapiens
https://sysbiochalmers.github.io/Human-GEM-guide/
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GPR curation for Xenobiotics metabolism #864

Open JHL-452b opened 1 month ago

JHL-452b commented 1 month ago

Current behavior:

24 genes are discovered to be uncorrelated with their corresponding reactions in Xenobiotics metabolism.

Gene UniProtID Reaction GPR Correlation Manually check
ENSG00000147576 Q8IWW8 MAR07038: chloral hydrate + H+ + NADH --> H2O + NAD+ + trichloroethanol ENSG00000147576 or ENSG00000172955 or ENSG00000187758 or ENSG00000196344 or ENSG00000196616 or ENSG00000197894 or ENSG00000198099 or ENSG00000248144 Pending No, the gene is not relevant to the reaction provided. Analysis and explanation: The gene ENSG00000147576 codes for an enzyme that catalyzes the oxidation of gamma-hydroxybutyrate to succinic semialdehyde, and the reduction of 2-ketoglutarate to D-2-hydroxyglutarate. However, the provided reaction involves the conversion of chloral hydrate to trichloroethanol with the participation of H+, NADH, H2O, and NAD+. This reaction does not involve any of the substrates or products (such as gamma-hydroxybutyrate, succinic semialdehyde, or 2-ketoglutarate) associated with the gene ENSG00000147576, nor does it reflect similar catalytic activities or pathways indicated by the gene annotation. No
ENSG00000196616 P00325 MAR07038: chloral hydrate + H+ + NADH --> H2O + NAD+ + trichloroethanol ENSG00000147576 or ENSG00000172955 or ENSG00000187758 or ENSG00000196344 or ENSG00000196616 or ENSG00000197894 or ENSG00000198099 or ENSG00000248144 Pending No, the gene is not relevant to the reaction provided. Analysis and explanation: The gene ENSG00000196616 encodes an enzyme that catalyzes the NAD-dependent oxidation of all-trans-retinol and its derivatives and also catalyzes the NADH-dependent reduction of all-trans-retinal and its derivatives. The reactions catalyzed by the gene involve retinoid metabolism, specifically the transformation between all-trans-retinol and all-trans-retinal, including their hydroxylated and oxidized forms. However, the reaction provided involves the conversion of chloral hydrate to trichloroethanol with NADH-dependent reduction, producing H2O and NAD+ as byproducts. This reaction is not related to retinoid metabolism and does not involve the substrates or products associated with the enzyme's known activities. Therefore, the gene's annotated functions do not align with the reaction provided, indicating no relevance between the gene and the reaction. No
ENSG00000108242 P33260 MAR07053: 7,12-dimethylbenz[a]anthracene + H+ + NADPH + O2 --> 7-hydroxymethyl-12-methylbenz[a]anthracene + H2O + NADP+ ENSG00000021461 or ENSG00000106258 or ENSG00000108242 or ENSG00000138061 or ENSG00000138109 or ENSG00000138115 or ENSG00000140465 or ENSG00000160868 or ENSG00000160870 or ENSG00000165841 Pending No, the gene is not relevant to the reaction provided. Analysis and explanation: The gene ENSG00000108242 encodes for a cytochrome P450 monooxygenase that is specifically involved in retinoid metabolism, including the hydroxylation of all-trans-retinoic acid (atRA). The reactions catalyzed by this enzyme involve transforming atRA to 4-hydroxyretinoate using molecular oxygen and NADPH. However, the provided reaction describes the metabolism of 7,12-dimethylbenz[a]anthracene to 7-hydroxymethyl-12-methylbenz[a]anthracene, a process not associated with retinoid metabolism or the specific substrates and products processed by the cytochrome P450 monooxygenase encoded by ENSG00000108242. Therefore, based on the gene's function and specific catalytic activities, the gene is not relevant to the provided reaction. No
ENSG00000117594 P28845 MAR07059: 4-(n-nitrosomethylamino)-1-(3-pyridyl)-1-butanone + H+ + NADPH --> 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol + NADP+ ENSG00000104808 or ENSG00000117594 or ENSG00000151632 or ENSG00000159228 or ENSG00000159231 or ENSG00000187134 or ENSG00000196139 or ENSG00000198610 Pending No, the gene is not relevant to the reaction provided. Analysis and explanation: The gene ENSG00000117594 encodes an enzyme that catalyzes the reversible conversion of various steroids, including glucocorticoids, neurosteroids, and bile acids, primarily involving the interconversion between hydroxy and oxo forms of these compounds. However, the reaction in question involves the conversion of 4-(n-nitrosomethylamino)-1-(3-pyridyl)-1-butanone to 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol, which does not fall within the enzyme's substrate specificity or catalytic activities as described. Therefore, the gene is not related to the provided reaction. No
ENSG00000108242 P33260 MAR07096: 1,1-dichloroethylene + H+ + NADPH + O2 --> chloroacetyl chloride + H2O + NADP+ ENSG00000021461 or ENSG00000106258 or ENSG00000108242 or ENSG00000138061 or ENSG00000138109 or ENSG00000138115 or ENSG00000140465 or ENSG00000160868 or ENSG00000160870 or ENSG00000165841 Pending No, the gene is not relevant to the reaction provided. Analysis and explanation: The gene ENSG00000108242 encodes for a cytochrome P450 monooxygenase involved in retinoid metabolism, specifically hydroxylating all-trans-retinoic acid to 4-hydroxyretinoate. It uses molecular oxygen and NADPH via cytochrome P450 reductase for its catalytic activity. The specified reaction, however, involves 1,1-dichloroethylene being converted to chloroacetyl chloride in the presence of H+, NADPH, and O2, which is unrelated to retinoid metabolism and the activity of the cytochrome P450 monooxygenase encoded by this gene. Thus, the gene does not play a role in the provided reaction. No
ENSG00000165841 P33261 MAR08601: (+)-alpha-pinene + H+ + NADPH + O2 --> alpha-pinene-oxide + H2O + NADP+ ENSG00000138109 or ENSG00000165841 Pending No, the gene is not relevant to the reaction provided. Analysis and explanation. The gene ENSG00000165841 is a cytochrome P450 monooxygenase involved mainly in the metabolism of polyunsaturated fatty acids (PUFA) and the metabolism of plant monoterpenes such as limonene. It uses molecular oxygen to insert one oxygen atom into a substrate and reduce the second oxygen into a water molecule, with electrons provided by NADPH via cytochrome P450 reductase. The gene's functions involve hydroxylation of PUFA at the omega-1 position, epoxidation of double bonds of PUFA, and oxygenation of limonene to produce carveol and perillyl alcohol. The catalytic activities listed do not include a reaction converting (+)-alpha-pinene with the given substrates and products. Therefore, based on the annotation, the provided gene is not related to the specified reaction of converting (+)-alpha-pinene to alpha-pinene-oxide. No Yes
ENSG00000117592 P30041 MAR06536: H+ + hypochlorite + nitrite <=> H2O + nitryl-chloride ENSG00000117592 or ENSG00000121053 or ENSG00000130508 or ENSG00000167419 Pending No, the gene is not relevant to the reaction provided. Analysis and explanation. The gene function as a thiol-specific peroxidase catalyzes the reduction of hydrogen peroxide and organic hydroperoxides, as well as having phospholipase and acyltransferase activities. The provided reaction involving hypochlorite and nitrite to form nitryl-chloride does not align with the described catalytic activities of the gene, which involve peroxides and phospholipids. Therefore, the gene and the reaction are not related. No
ENSG00000184254 P47895 MAR09569: 4-nitrophenyl-phosphate + H2O --> Pi + PNP ENSG00000006534 or ENSG00000014257 or ENSG00000102575 or ENSG00000134575 or ENSG00000142513 or ENSG00000155893 or ENSG00000162551 or ENSG00000162836 or ENSG00000163283 or ENSG00000163286 or ENSG00000163295 or ENSG00000184254 Pending No, the gene is not relevant to the reaction provided. Analysis and explanation. The gene ENSG00000184254 catalyzes reactions involving the NAD-dependent oxidation of aldehyde substrates such as all-trans-retinal and all-trans-13,14-dihydroretinal to their corresponding carboxylic acids. The provided reaction involves the hydrolysis of 4-nitrophenyl-phosphate to produce Pi and PNP, which does not correlate with the gene's function or catalytic activities described. No
ENSG00000006534 P43353 MAR09569: 4-nitrophenyl-phosphate + H2O --> Pi + PNP ENSG00000006534 or ENSG00000014257 or ENSG00000102575 or ENSG00000134575 or ENSG00000142513 or ENSG00000155893 or ENSG00000162551 or ENSG00000162836 or ENSG00000163283 or ENSG00000163286 or ENSG00000163295 or ENSG00000184254 Pending No, the gene is not relevant to the reaction provided. Analysis and explanation. The gene ENSG00000006534 encodes an enzyme that primarily oxidizes medium and long chain aldehydes to their corresponding carboxylates using NADP(+) or NAD(+) as electron acceptors. The reaction provided, 4-nitrophenyl-phosphate + H2O --> Pi + PNP, involves the hydrolysis of 4-nitrophenyl phosphate and does not involve aldehyde oxidation or the cofactors NADP(+) or NAD(+). Therefore, the gene's function does not match the reaction described. No
ENSG00000138115 P10632 MAR07001: H+ + NADPH + naphthalene + O2 --> (1R,2S)-naphthalene 1,2-oxide + H2O + NADP+ ENSG00000021461 or ENSG00000106258 or ENSG00000108242 or ENSG00000138061 or ENSG00000138109 or ENSG00000138115 or ENSG00000140465 or ENSG00000160868 or ENSG00000160870 or ENSG00000165841 Pending No, the gene is not relevant to the reaction provided. Analysis and explanation: The gene ENSG00000138115 encodes a cytochrome P450 monooxygenase enzyme involved in the metabolism of various endogenous substrates such as fatty acids, steroid hormones, and vitamins. It specifically catalyzes the epoxidation of polyunsaturated fatty acids and the hydroxylation of carbon-hydrogen bonds with a preference for specific double bonds in fatty acids and steroid hormones. The reaction involving the conversion of naphthalene to (1R,2S)-naphthalene 1,2-oxide is not among its annotated activities or substrates. Therefore, this gene does not participate in the metabolic pathway required for this reaction. No Yes
ENSG00000198099 P08319 MAR07038: chloral hydrate + H+ + NADH --> H2O + NAD+ + trichloroethanol ENSG00000147576 or ENSG00000172955 or ENSG00000187758 or ENSG00000196344 or ENSG00000196616 or ENSG00000197894 or ENSG00000198099 or ENSG00000248144 Pending No, the gene is not relevant to the reaction provided. Analysis and explanation. The gene ENSG00000198099 encodes an enzyme that catalyzes the NAD-dependent oxidation of all-trans-retinol, 9-cis-retinol, long chain omega-hydroxy fatty acids, and the reduction of benzoquinones. However, the provided reaction involves the conversion of chloral hydrate to trichloroethanol, which is not one of the reactions or substrates mentioned in the enzyme's functional annotation. Thus, the gene and the provided reaction are not related. No Yes
ENSG00000138115 P10632 MAR07096: 1,1-dichloroethylene + H+ + NADPH + O2 --> chloroacetyl chloride + H2O + NADP+ ENSG00000021461 or ENSG00000106258 or ENSG00000108242 or ENSG00000138061 or ENSG00000138109 or ENSG00000138115 or ENSG00000140465 or ENSG00000160868 or ENSG00000160870 or ENSG00000165841 Pending No, the gene is not relevant to the reaction provided. Analysis and explanation: The gene functions primarily as a cytochrome P450 monooxygenase involved in the metabolism of endogenous substrates such as fatty acids, steroid hormones, and vitamins by epoxidation and hydroxylation. The described reaction involves the conversion of 1,1-dichloroethylene to chloroacetyl chloride, which does not align with the gene's characterized activities or substrates. The gene does not mention any involvement with 1,1-dichloroethylene or the production of chloroacetyl chloride, indicating the gene is not relevant to this reaction. No Yes
ENSG00000117592 P30041 MAR06535: H2O + hypochlorite <=> chloride + H+ + H2O2 ENSG00000117592 or ENSG00000121053 or ENSG00000130508 or ENSG00000167419 Pending No, the gene is not relevant to the reaction provided. Analysis and explanation. The gene ENSG00000117592 encodes a thiol-specific peroxidase that catalyzes the reduction of hydrogen peroxide and organic hydroperoxides to water and alcohols. It also has phospholipase activity and participates in phospholipid homeostasis and lysophospholipid acyltransferase activity. The provided reaction involves the conversion of water and hypochlorite to chloride, hydrogen ion, and hydrogen peroxide, which is not among the catalytic activities or functions attributed to the gene ENSG00000117592 based on the annotations. Therefore, the gene is not related to the provided reaction. No Yes
ENSG00000130508 Q92626 MAR06535: H2O + hypochlorite <=> chloride + H+ + H2O2 ENSG00000117592 or ENSG00000121053 or ENSG00000130508 or ENSG00000167419 Pending No, the gene is not relevant to the reaction provided. Analysis and explanation. The gene ENSG00000130508 encodes an enzyme that catalyzes the oxidation of bromide by hydrogen peroxide, leading to the formation of hypobromite and its subsequent reactions with lysyl and methionyl residues in collagen, as well as the bromination of tyrosyl residues. This gene is not involved in the reaction of H2O with hypochlorite producing chloride, H+, and H2O2, which lies outside the scope of its annotated catalytic activities related to bromide oxidation and collagen interactions. No
ENSG00000140465 P04798 MAR07002: H+ + NADPH + naphthalene + O2 --> (1S,2R)-naphthalene 1,2-oxide + H2O + NADP+ ENSG00000021461 or ENSG00000106258 or ENSG00000108242 or ENSG00000138061 or ENSG00000138109 or ENSG00000138115 or ENSG00000140465 or ENSG00000160868 or ENSG00000160870 or ENSG00000165841 Pending No, the gene is not relevant to the reaction provided. Analysis and explanation. The annotated gene ENSG00000140465 encodes for a cytochrome P450 monooxygenase involved in the metabolism of various endogenous substrates such as fatty acids, steroid hormones, and vitamins. The gene product catalyzes reactions such as the hydroxylation of carbon-hydrogen bonds, epoxidation of double bonds, and oxidative transformation of all-trans retinol. However, the reaction provided involves the transformation of naphthalene to (1S,2R)-naphthalene 1,2-oxide, which is not described among the substrates or reactions mediated by this cytochrome P450 monooxygenase. Therefore, the gene and the provided reaction are not related. No Yes
ENSG00000198610 P17516 MAR07005: 1,2-dihydronaphthalene-1,2-diol + NADP+ --> H+ + NADPH + naphthalene-1,2-diol ENSG00000104808 or ENSG00000151632 or ENSG00000187134 or ENSG00000196139 or ENSG00000198610 Pending No, the gene is not relevant to the reaction provided. Analysis and explanation. The gene ENSG00000198610 encodes a cytosolic aldo-keto reductase that is primarily involved in the metabolism of various steroids, including androgens, estrogens, progesterone, and conjugated steroids. Its catalytic activities involve the reduction and oxidation of hydroxysteroids and ketosteroids. The provided reaction involves the conversion of 1,2-dihydronaphthalene-1,2-diol to naphthalene-1,2-diol, which is not related to the steroid metabolism activities of the gene product. Therefore, based on the gene's function and catalytic activities, it is not related to the reaction involving 1,2-dihydronaphthalene-1,2-diol. No Yes
ENSG00000108242 P33260 MAR07019: aflatoxin M1 + H+ + NADPH + O2 <=> aflatoxin M1-8,9-epoxide + H2O + NADP+ ENSG00000021461 or ENSG00000106258 or ENSG00000108242 or ENSG00000138061 or ENSG00000138109 or ENSG00000138115 or ENSG00000140465 or ENSG00000160868 or ENSG00000160870 or ENSG00000165841 Pending No, the gene is not relevant to the reaction provided. Analysis and explanation: The gene ENSG00000108242 encodes a cytochrome P450 monooxygenase involved in retinoid metabolism, specifically hydroxylating all trans-retinoic acid to 4-hydroxyretinoate. The reaction provided involves the conversion of aflatoxin M1 to aflatoxin M1-8,9-epoxide, which is not related to retinoid metabolism or the substrates and products associated with the gene's function. No
ENSG00000108242 P33260 MAR07021: aflatoxin B1 + H+ + NADPH + O2 --> aflatoxin B1-exo-8,9-epoxide + H2O + NADP+ ENSG00000021461 or ENSG00000106258 or ENSG00000108242 or ENSG00000138061 or ENSG00000138109 or ENSG00000138115 or ENSG00000140465 or ENSG00000160868 or ENSG00000160870 or ENSG00000165841 Pending No, the gene is not relevant to the reaction provided. Analysis and explanation: The gene ENSG00000108242 encodes a cytochrome P450 monooxygenase involved in retinoid metabolism, specifically hydroxylating all-trans-retinoic acid to 4-hydroxyretinoate. This activity relies on molecular oxygen and NADPH via cytochrome P450 reductase. The provided reaction involves the conversion of aflatoxin B1 to aflatoxin B1-exo-8,9-epoxide, which is a different substrate and reaction mechanism not associated with the gene's annotated function. Therefore, the gene ENSG00000108242 is not related to the provided reaction. No
ENSG00000184254 P47895 MAR07035: chloral hydrate + NAD+ --> 2.0 H+ + NADH + trichloroacetate ENSG00000006534 or ENSG00000108602 or ENSG00000132746 or ENSG00000184254 Pending No, the gene is not relevant to the reaction provided. Analysis and explanation: The gene ENSG00000184254 encodes a protein that catalyzes the NAD-dependent oxidation of aldehyde substrates, specifically all-trans-retinal and all-trans-13,14-dihydroretinal, converting them to their respective carboxylic acids. However, the provided reaction involves the conversion of chloral hydrate to trichloroacetate, which is not one of the substrates specified in the gene's annotation. Therefore, the gene is not relevant to the reaction provided. No Yes
ENSG00000186377 Q8N118 MAR04019: benzo[a]pyrene + H+ + NADPH + O2 --> H2O + NADP+ + Benzo[A]Pyrene-2,3-Oxide ENSG00000021461 or ENSG00000100197 or ENSG00000106258 or ENSG00000108242 or ENSG00000130649 or ENSG00000134716 or ENSG00000137869 or ENSG00000138061 or ENSG00000138109 or ENSG00000138115 or ENSG00000140465 or ENSG00000140505 or ENSG00000142973 or ENSG00000160868 or ENSG00000160870 or ENSG00000167600 or ENSG00000171903 or ENSG00000186160 or ENSG00000186204 or ENSG00000186377 or ENSG00000186526 or ENSG00000197408 or ENSG00000197446 or ENSG00000197838 or ENSG00000198077 or ENSG00000255974 Pending No, the gene is not relevant to the reaction provided. Analysis and explanation: The gene ENSG00000186377 encodes a cytochrome P450 monooxygenase that specifically catalyzes the epoxidation of the arachidonoyl moiety of anandamide. It does not exhibit hydroxylase activity toward various fatty acids, steroids, and prostaglandins. Its catalytic activity involves the reaction N-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-ethanolamine with molecular oxygen and reduced [NADPH-hemoprotein reductase], resulting in the formation of N-(14,15-epoxy-5Z,8Z,11Z-eicosatrienoyl)-ethanolamine. This activity is different from the provided reaction, which involves the transformation of benzo[a]pyrene to Benzo[A]Pyrene-2,3-Oxide. Therefore, the gene is not relevant to the reaction provided. No
ENSG00000137869 P11511 MAR04019: benzo[a]pyrene + H+ + NADPH + O2 --> H2O + NADP+ + Benzo[A]Pyrene-2,3-Oxide ENSG00000021461 or ENSG00000100197 or ENSG00000106258 or ENSG00000108242 or ENSG00000130649 or ENSG00000134716 or ENSG00000137869 or ENSG00000138061 or ENSG00000138109 or ENSG00000138115 or ENSG00000140465 or ENSG00000140505 or ENSG00000142973 or ENSG00000160868 or ENSG00000160870 or ENSG00000167600 or ENSG00000171903 or ENSG00000186160 or ENSG00000186204 or ENSG00000186377 or ENSG00000186526 or ENSG00000197408 or ENSG00000197446 or ENSG00000197838 or ENSG00000198077 or ENSG00000255974 Pending No, the gene is not relevant to the reaction provided. Analysis and explanation. The gene ENSG00000137869 encodes a cytochrome P450 monooxygenase involved in the metabolism of C19 androgens to C18 estrogens, such as the conversion of androst-4-ene-3,17-dione to estrone and testosterone to estradiol, and other related steroid metabolic processes. In contrast, the provided reaction involves the conversion of benzo[a]pyrene using NADPH and oxygen to form benzo[a]pyrene-2,3-oxide, water, and NADP+. This reaction is unrelated to the steroid metabolism catalyzed by the gene product of ENSG00000137869, and there is no mention of benzo[a]pyrene or similar substrates in the gene's described functions and activities. Therefore, the gene is not relevant to the provided reaction. No
ENSG00000186160 Q86W10 MAR04041: 7,12-dimethylbenz[a]anthracene + H+ + NADPH + O2 --> H2O + NADP+ + 7,12-Dimethylbenz[A]Anthracene-3,4-Oxide ENSG00000021461 or ENSG00000100197 or ENSG00000106258 or ENSG00000108242 or ENSG00000130649 or ENSG00000134716 or ENSG00000137869 or ENSG00000138061 or ENSG00000138109 or ENSG00000138115 or ENSG00000140465 or ENSG00000140505 or ENSG00000142973 or ENSG00000160868 or ENSG00000160870 or ENSG00000167600 or ENSG00000171903 or ENSG00000186160 or ENSG00000186204 or ENSG00000186377 or ENSG00000186526 or ENSG00000197408 or ENSG00000197446 or ENSG00000197838 or ENSG00000198077 or ENSG00000255974 Pending No, the gene is not relevant to the reaction provided. Analysis and explanation. The gene ENSG00000186160 encodes a cytochrome P450 monooxygenase that primarily catalyzes the hydroxylation of fatty acids and the epoxidation of polyunsaturated fatty acids. The gene's described catalytic activities involve the oxidation of fatty acids such as dodecanoate and tetradecanoate and the epoxidation of arachidonic acid. However, the provided reaction involves the oxidation of 7,12-dimethylbenz[a]anthracene, which is not related to fatty acids and lies outside the functional scope of the gene's enzymatic activities. Therefore, based on the annotation of the gene, the gene and the reaction are not related. No
ENSG00000186377 Q8N118 MAR04041: 7,12-dimethylbenz[a]anthracene + H+ + NADPH + O2 --> H2O + NADP+ + 7,12-Dimethylbenz[A]Anthracene-3,4-Oxide ENSG00000021461 or ENSG00000100197 or ENSG00000106258 or ENSG00000108242 or ENSG00000130649 or ENSG00000134716 or ENSG00000137869 or ENSG00000138061 or ENSG00000138109 or ENSG00000138115 or ENSG00000140465 or ENSG00000140505 or ENSG00000142973 or ENSG00000160868 or ENSG00000160870 or ENSG00000167600 or ENSG00000171903 or ENSG00000186160 or ENSG00000186204 or ENSG00000186377 or ENSG00000186526 or ENSG00000197408 or ENSG00000197446 or ENSG00000197838 or ENSG00000198077 or ENSG00000255974 Pending No, the gene is not relevant to the reaction provided. Analysis and explanation: The gene ENSG00000186377 encodes a cytochrome P450 monooxygenase that specifically catalyzes the epoxidation of the last double bond of the arachidonoyl moiety of anandamide, not demonstrating hydroxylase activity toward various fatty acids, steroids, and prostaglandins. The provided reaction involves the conversion of 7,12-dimethylbenz[a]anthracene to its epoxide form, which is a different substrate and activity not associated with the function of this gene according to the given annotation. No
ENSG00000108242 P33260 MAR04051: H+ + NADPH + O2 + 7,12-Dimethylbenz[A]Anthracene-3,4-Diol --> H2O + NADP+ + 7,12-Dimethylbenz[A]Anthracene-3,4-Diol-1,2-Epoxide ENSG00000021461 or ENSG00000100197 or ENSG00000106258 or ENSG00000108242 or ENSG00000130649 or ENSG00000134716 or ENSG00000137869 or ENSG00000138061 or ENSG00000138109 or ENSG00000138115 or ENSG00000140465 or ENSG00000140505 or ENSG00000142973 or ENSG00000160868 or ENSG00000160870 or ENSG00000167600 or ENSG00000171903 or ENSG00000186160 or ENSG00000186204 or ENSG00000186377 or ENSG00000186526 or ENSG00000197408 or ENSG00000197446 or ENSG00000197838 or ENSG00000198077 or ENSG00000255974 Pending No, the gene is not relevant to the reaction provided. Analysis and explanation: The gene ENSG00000108242 encodes a cytochrome P450 monooxygenase involved in retinoid metabolism, which hydroxylates all-trans-retinoic acid (atRA) to 4-hydroxyretinoate. Its catalytic activities mainly involve reactions with retinoids. However, the given reaction involves the transformation of 7,12-Dimethylbenz[A]Anthracene-3,4-Diol to its epoxide form, which does not involve retinoid substrates or products. Hence, there is no relevance between the gene's function and the provided reaction. No
feiranl commented 3 weeks ago

The following gene entries should be retained based on their relevant functions: ENSG00000165841 for MAR08601, as it catalyzes plant monoterpenes, including (+)-alpha-pinene; ENSG00000138115 for MAR07001 and MAR07096, for its role in catalyzing various aromatic compounds; and ENSG00000198099 for MAR07038, since ADH4 also contributes to the metabolism of chloral hydrate, despite ADH1C being the primary enzyme. Additionally, ENSG00000117592 for MAR06535 and ENSG00000140465 for MAR07002 are important, with CYP1A1 playing a key role in the bioactivation of aromatic hydrocarbons like naphthalene. Other relevant entries include ENSG00000198610 for MAR07005 and ENSG00000184254 for MAR07035.

GOOD EXAMPLE FOR MANUSCRIPT: In contrast, ENSG00000108242 for MAR07019 and MAR07021 should be excluded, as CYP26A1 is not involved in aflatoxin M1 or B1 metabolism; these are primarily metabolized by CYP1A2 and CYP3A4. Similarly, ENSG00000137869 and ENSG00000186377 for MAR04019 should be kept, as benzo[a]pyrene is mainly processed by CYP1A1, CYP1A2, and CYP3A4, not CYP19A1 or CYP4X1. Lastly, ENSG00000186160 for MAR04041 and ENSG00000108242 for MAR04051 should also be excluded, as these compounds are more relevant to CYP1A1 and CYP1A2 for polycyclic aromatic hydrocarbons.