PhytoHub: Showing entry for 5-acetyl-amino-6-amino-3-methyluracil

5-acetyl-amino-6-amino-3-methyluracil

Identification

PhytoHub ID

PHUB002404

Name

5-acetyl-amino-6-amino-3-methyluracil

Systematic Name

N-(6-amino-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide

Synonyms

N-(6-amino-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide

CAS Number

19893-78-8

Average Mass

198.182

Monoisotopic Mass

198.075290198

Chemical Formula

C₇H₁₀N₄O₃

IUPAC Name

N-(6-amino-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetamide

InChI Key

POQOTWQIYYNXAT-UHFFFAOYSA-N

InChI Identifier

InChI=1S/C7H10N4O3/c1-3(12)9-4-5(8)10-7(14)11(2)6(4)13/h8H2,1-2H3,(H,9,12)(H,10,14)

SMILES

CN1C(=O)NC(N)=C(NC(C)=O)C1=O

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 2.50e+00 g/l
LogS (ALOGPS): -1.90
LogP (ALOGPS): -1.05
Hydrogen Acceptors: 4
Hydrogen Donors: 3
Rotatable Bond Count: 1
Polar Surface Area: 104.53
Refractivity: 56.8707
Polarizability: 18.38196697479787
Formal Charge: 0
Physiological Charge: 0
pKa (strongest basic): -4.511594458108112
pKa (strongest acidic): 9.756465524292572
Number of Rings: 1
Rule of Five: Yes
Bioavailability: Yes
Ghose Filter: No
Veber's Rule: No
MDDR-like Rule: No

External Links

PubChem: 88299

Taxonomy as Metabolite

Family: N-containing compound metabolites
Class: Alkaloid metabolites
Sub-class: Purines and pyrimidines (parent, host and microbial metabolites)

Taxonomy of its Food Phytochemical Precursor(s)

Food Phytochemical	Family	Class	Sub-class
Caffeine	N-containing compounds	Alkaloids	Purines and pyrimidines	Show Food Phytochemical

Classyfire Taxonomy

Kingdom Name: Organic compounds
Class: Organonitrogen compounds
Super-class: Organic nitrogen compounds
Sub-class: N-arylamides
Direct Parent Name: N-acetylarylamines
Alternative Parent Names: ["Acetamides", "Amino acids and derivatives", "Aminopyrimidines and derivatives", "Azacyclic compounds", "Carbonyl compounds", "Heteroaromatic compounds", "Hydrocarbon derivatives", "Hydropyrimidines", "Lactams", "Organic oxides", "Organopnictogen compounds", "Primary amines", "Pyrimidones", "Secondary carboxylic acid amides", "Ureas", "Vinylogous amides"]
External Descriptor Annotations: ["aromatic amide"]
Substituent Names: ["Acetamide", "Amine", "Amino acid or derivatives", "Aminopyrimidine", "Aromatic heteromonocyclic compound", "Azacycle", "Carbonyl group", "Carboxamide group", "Carboxylic acid derivative", "Heteroaromatic compound", "Hydrocarbon derivative", "Hydropyrimidine", "Lactam", "N-acetylarylamine", "Organic oxide", "Organic oxygen compound", "Organoheterocyclic compound", "Organooxygen compound", "Organopnictogen compound", "Primary amine", "Pyrimidine", "Pyrimidone", "Secondary carboxylic acid amide", "Urea", "Vinylogous amide"]

Spectra from Phytohub

Spectrum Type	Instrument Type	Ion Mode	Collision Energy Level	View	Peaks

Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(43.01783932,4.646791621);(43.02907162,1.437923783);(44.01308792,0.7253115175);(57.02091252,1.232113684);(58.02873712,2.144686933);(70.03996942,0.8470830958);(83.02398572,0.6802474933);(98.03488352,1.651779826);(113.0583573,1.086704442);(124.0267244,0.6867094754);(126.0297976,0.8842424583);(126.0423736,0.8228775807);(127.0501982,0.7954845657);(139.0376222,2.987212396);(140.0454468,1.951545897);(141.0406954,1.451310589);(141.0532714,1.677922542);(152.0328708,1.444486714);(153.0406954,1.436599641);(154.04852,1.830752767);(155.0563446,2.278336556);(156.0641692,7.051605371);(157.0719938,2.287599795);(169.0719938,0.8805711397);(170.0798184,0.9790412422);(180.0641692,1.934580723);(181.0719938,2.98393145);(182.0434341,1.130330493);(183.0512587,3.88041094);(197.0669079,3.015675088);(198.0747325,4.301207862)
Predicted GC-MS	GC-MS	Ei	Not Available	View Spectrum	(43.01783932,4.646791621);(43.02907162,1.437923783);(44.01308792,0.7253115175);(57.02091252,1.232113684);(58.02873712,2.144686933);(70.03996942,0.8470830958);(83.02398572,0.6802474933);(98.03488352,1.651779826);(113.0583573,1.086704442);(124.0267244,0.6867094754);(126.0297976,0.8842424583);(126.0423736,0.8228775807);(127.0501982,0.7954845657);(139.0376222,2.987212396);(140.0454468,1.951545897);(141.0406954,1.451310589);(141.0532714,1.677922542);(152.0328708,1.444486714);(153.0406954,1.436599641);(154.04852,1.830752767);(155.0563446,2.278336556);(156.0641692,7.051605371);(157.0719938,2.287599795);(169.0719938,0.8805711397);(170.0798184,0.9790412422);(180.0641692,1.934580723);(181.0719938,2.98393145);(182.0434341,1.130330493);(183.0512587,3.88041094);(197.0669079,3.015675088);(198.0747325,4.301207862)
Predicted GC-MS	GC-MS	Ei	Not Available	View Spectrum	(43.01783932,4.646791621);(43.02907162,1.437923783);(44.01308792,0.7253115175);(57.02091252,1.232113684);(58.02873712,2.144686933);(70.03996942,0.8470830958);(83.02398572,0.6802474933);(98.03488352,1.651779826);(113.0583573,1.086704442);(124.0267244,0.6867094754);(126.0297976,0.8842424583);(126.0423736,0.8228775807);(127.0501982,0.7954845657);(139.0376222,2.987212396);(140.0454468,1.951545897);(141.0406954,1.451310589);(141.0532714,1.677922542);(152.0328708,1.444486714);(153.0406954,1.436599641);(154.04852,1.830752767);(155.0563446,2.278336556);(156.0641692,7.051605371);(157.0719938,2.287599795);(169.0719938,0.8805711397);(170.0798184,0.9790412422);(180.0641692,1.934580723);(181.0719938,2.98393145);(182.0434341,1.130330493);(183.0512587,3.88041094);(197.0669079,3.015675088);(198.0747325,4.301207862)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(41.99813,100.0);(56.01361,1.4);(70.03942,3.43);(72.04655,84.06);(85.04091,30.13);(87.05782,3.17);(97.04079,3.58);(98.03607,87.12);(112.0279,4.84);(127.0538,50.86);(140.0482,16.41);(154.0648,5.42);(155.0603,2.84);(161.8941,1.23);(178.8957,2.05);(197.0704,2.17)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(41.99813,42.05);(70.03365,1.42);(72.04655,43.96);(85.04091,12.56);(87.05782,2.16);(97.04079,5.15);(98.03607,46.21);(112.0315,1.24);(127.0538,100.0);(140.0482,55.23);(154.0648,54.56);(155.0603,4.91);(178.8957,1.29);(197.0704,99.36)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(69.99345,41.5);(124.05103,69.47);(138.06763,38.55);(156.06491,100.0);(157.07216,94.56);(158.07437,36.1)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(42.03296,95.92);(43.05331,40.89);(55.05388,26.2);(56.0492,40.18);(59.04831,29.01);(69.99345,4.76);(72.05347,53.31);(81.06938,55.66);(89.05966,65.11);(94.04,79.66);(108.0442,35.8);(124.05103,100.0);(181.0728,93.21)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(45.03296,100.0);(88.00703,19.8);(119.08441,12.1)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(112.04973,85.21);(181.07252,100.0);(199.0882,79.23);(203.9722,85.21)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(58.02875,52.39);(69.03278,93.22);(109.07455,100.0);(111.07954,92.34);(181.07417,50.88)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(60.04449,12.06);(97.07522,3.46);(156.06491,5.72);(157.07216,40.33);(181.0728,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(41.99813,100.0);(55.02869,1.1);(56.01619,2.32);(58.0307,1.46);(70.0423,7.17);(72.04655,53.38);(85.04091,16.42);(87.05782,2.25);(98.03607,51.35);(112.0279,3.02);(127.0538,4.21);(140.0482,1.05)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(41.99813,100.0);(56.01619,1.94);(70.03942,5.21);(72.04655,21.54);(85.04091,2.83);(98.03607,13.6);(116.9501,1.1);(161.8941,1.47)
LC-MS/MS	LC-ESI-QTOF	Negative	low	View Spectrum	(70.03365,0.01420616);(72.04655,0.43963172);(85.04091,0.12557742);(87.05782,0.02162564);(97.04079,0.05146175);(98.03607,0.46206417);(112.0315,0.01238689);(127.0538,1.0);(140.0482,0.55225274);(154.0648,0.54560843);(155.0603,0.04913624);(178.8957,0.01289312);(196.9058,0.01110549);(197.0704,0.99357717)
LC-MS/MS	LC-ESI-QTOF	Negative	medium	View Spectrum	(56.01361,0.01398775);(70.03942,0.03432742);(72.04655,0.84059375);(85.04091,0.3012884);(87.05782,0.03166952);(97.04079,0.03576899);(98.03607,0.87124966);(112.0279,0.04842779);(127.0538,0.50864943);(140.0482,0.16406884);(154.0648,0.05419407);(155.0603,0.02838094);(161.8941,0.01232093);(178.8957,0.02054239);(197.0704,0.02166862)
LC-MS/MS	LC-ESI-QTOF	Negative	medium	View Spectrum	(55.02869,0.01097201);(56.01619,0.02320545);(58.0307,0.01461348);(70.0423,0.07166318);(72.04655,0.53382045);(85.04091,0.16415175);(87.05782,0.02251523);(98.03607,0.51351866);(112.0279,0.03020278);(127.0538,0.04207921);(140.0482,0.010496)
LC-MS/MS	LC-ESI-QTOF	Negative	high	View Spectrum	(56.01619,0.01937227);(70.03942,0.05206147);(72.04655,0.21538684);(85.04091,0.02834672);(98.03607,0.13599189);(116.9501,0.01102507);(161.8941,0.0147403)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(88.00703,0.198);(119.08441,0.121)
LC-MS/MS	LC-ESI-QTOF	Positive	medium	View Spectrum	(58.02875,0.52386935);(69.03278,0.9321608);(109.07455,1.0);(111.07954,0.92336683);(181.07417,0.50879397)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(69.99345,0.41500164);(124.05103,0.6947265);(138.06763,0.38552244);(156.06491,1.0);(157.07216,0.94562725);(158.07437,0.36095644)
LC-MS/MS	LC-ESI-QTOF	Positive	medium	View Spectrum	(55.05388,0.26197112);(56.0492,0.40182417);(59.04831,0.29009374);(69.99345,0.04763111);(72.05347,0.53306309);(81.06938,0.55662529);(89.05966,0.65112744);(94.04,0.79655435);(108.0442,0.35799341);(124.05103,1.0);(181.0728,0.93210033)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(17.03912516,0.265788308);(43.01838972,0.3666087686);(43.0296231,0.1602411052);(45.03403978,0.3528644651);(69.00888765,0.0938470476);(85.04018778,0.0826921505);(97.04018778,0.1593846692);(99.05583784,0.0756957631);(110.0354367,0.1477904267);(111.0558378,0.0682564129);(112.0510868,1.545651165);(114.0667369,0.1324041685);(125.0351024,0.2550825014);(127.0507525,0.3687319759);(129.0664025,0.2688190757);(138.0667369,0.1089391178);(139.0619858,0.3328197072);(140.0460014,0.3190186532);(141.0412504,0.527881382);(152.0460014,0.3957157768);(154.0616515,0.9915521429);(155.0569005,25.65811319);(156.0773016,4.579006379);(157.0725505,5.468339964);(168.0409161,0.1173360383);(169.0725505,0.2738790122);(170.0565661,0.2478550021);(181.0725505,6.76040288);(182.0565661,2.80791911);(183.0518151,0.9060845499);(199.0831152,46.16127909)
Predicted LC-MS/MS	Not Available	Positive	med	View Spectrum	(43.01838972,1.456488392);(56.01363868,6.24092021);(80.01363868,0.4005744561);(83.02453772,0.367304524);(85.04018778,0.6215519145);(96.01978668,1.110965611);(97.04018778,0.7137394072);(98.02420337,6.413640252);(98.03543675,1.852614033);(100.0398534,1.021415738);(112.0510868,2.932597501);(113.0351024,0.8594695979);(124.0510868,1.900009171);(125.0351024,1.639836196);(126.0303514,0.732285976);(127.0507525,0.500482178);(128.0460014,0.4662391638);(138.0667369,0.4207617329);(139.0619858,1.145434382);(140.0460014,1.234075076);(141.0412504,3.059765051);(142.0616515,4.618496362);(152.0460014,0.4720208214);(155.0569005,29.75800947);(156.0773016,1.709534372);(157.0725505,7.227053755);(168.0409161,0.5961052665);(181.0725505,7.2462432);(182.0565661,1.980299998);(183.0518151,0.7268256514);(199.0831152,10.57524054)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(43.01838972,0.7845589058);(43.0296231,37.21972032);(44.01363868,0.7073223745);(45.03403978,0.8595222783);(54.03437413,1.664366876);(55.0296231,0.590726309);(56.01363868,0.6874629291);(58.02928875,3.240312176);(60.04493881,0.6608392743);(69.00888765,3.094615563);(71.02453772,3.544773109);(72.04493881,0.9061226639);(73.04018778,0.8026620971);(83.02453772,4.633234735);(84.05617219,0.6540952165);(85.04018778,0.6309297966);(96.01978668,2.209954021);(97.04018778,4.532889863);(98.03543675,14.94331009);(99.05583784,1.477177945);(100.0510868,3.08873839);(112.0510868,3.143534844);(113.0351024,0.5800614867);(122.0354367,0.9487609632);(124.0510868,1.924517899);(125.0351024,1.314626582);(126.0303514,0.862283681);(127.0619858,0.705139101);(140.0460014,1.133709099);(142.0616515,0.7488760671);(155.0569005,1.705155343)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(30.03437413,0.454479815);(41.99798862,2.643044508);(43.01838972,2.53114806);(56.01363868,1.491811831);(58.02928875,1.037320202);(71.02453772,2.240509513);(73.04018778,2.935419808);(83.02453772,0.4165145489);(95.02453772,0.4848326559);(97.04018778,0.4843515365);(100.0510868,0.3858762175);(110.0354367,1.335222505);(112.0510868,2.218190942);(122.0354367,0.6057426397);(123.0194523,0.3752998199);(125.0351024,2.758756527);(127.0507525,2.28253339);(134.0354367,0.9140338969);(136.0510868,2.033597788);(139.0256003,0.4455696858);(140.0460014,2.600168138);(150.0303514,5.739582888);(152.0460014,9.307182082);(153.0412504,0.3874195837);(154.0616515,29.89084041);(155.0569005,3.126653387);(167.0569005,0.5266499766);(179.0569005,2.553946579);(180.0409161,0.4257318857);(181.036165,0.4163055458);(197.0674651,16.95126363)
Predicted LC-MS/MS	Not Available	Negative	med	View Spectrum	(26.003074,0.9271496199);(41.00273965,2.000505211);(41.01397303,2.239615238);(41.99798862,8.545821326);(43.01838972,2.190058976);(44.01363868,2.843644254);(56.01363868,7.82529864);(58.02928875,2.16442133);(69.00888765,3.180986731);(71.02453772,3.841010001);(81.00888765,2.737705072);(83.02453772,9.74516508);(95.02453772,0.7631973396);(96.0085533,0.7879355273);(97.04018778,0.705554796);(98.03543675,1.368824651);(107.0245377,0.9956447421);(109.0401878,1.431672016);(110.0354367,1.586199021);(112.0510868,2.89210351);(123.0194523,3.481348055);(125.0351024,14.46519931);(127.0507525,5.217192557);(129.0664025,1.479990926);(138.0303514,1.147920691);(140.0460014,1.394438152);(154.0616515,7.302454501);(155.0569005,2.454666589);(179.0569005,1.084066288);(180.0409161,0.7277130672);(197.0674651,2.472496783)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(26.003074,2.737589532);(28.01872406,2.377072417);(30.03437413,1.378756815);(41.01397303,8.876194631);(41.99798862,7.640714666);(43.01838972,1.125437425);(43.0296231,3.313257698);(44.01363868,0.6401758818);(53.99798862,0.7180735069);(56.01363868,6.334126012);(58.02928875,3.521495928);(69.00888765,21.43970503);(70.02928875,0.8086109618);(71.02453772,10.93447389);(73.04018778,1.513011155);(80.02487206,0.6209169556);(81.00888765,1.065146024);(82.04052213,0.9037186568);(83.02453772,2.657373845);(84.01978668,4.031415941);(96.0085533,0.8965211072);(96.01978668,6.004124259);(98.02420337,0.7471275782);(98.03543675,3.669811829);(100.0510868,1.273132799);(111.0194523,0.6778857659);(113.0351024,0.8322322964);(125.0351024,0.6742420563);(125.0463358,1.397916403);(140.0460014,0.6242404632);(167.0569005,0.5654984722)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(56.01419,5.54);(58.02984,4.32);(58.02984,4.32);(96.0091,7.09);(125.03565,4.49);(125.03565,4.49);(127.0513,23.28);(127.0513,23.28);(154.0622,3.82);(170.05711,6.89);(170.05711,6.89);(197.06801,100.0);(197.06801,100.0);(197.06801,100.0);(197.06801,100.0);(197.06801,100.0);(197.06801,100.0);(197.06801,100.0)
Predicted LC-MS/MS	Not Available	Negative	medium	View Spectrum	(41.99854,18.22);(56.01419,8.22);(58.02984,13.46);(58.02984,13.46);(69.00944,16.34);(70.02984,17.64);(83.02509,8.68);(83.02509,8.68);(85.04074,8.32);(99.05639,29.03);(112.05164,25.73);(112.05164,25.73);(123.02,8.54);(123.02,8.54);(125.03565,58.15);(125.03565,58.15);(127.0513,29.43);(127.0513,29.43);(140.04655,10.24);(140.04655,10.24);(152.04655,12.12);(152.04655,12.12);(153.0418,12.74);(153.0418,12.74);(153.0418,12.74);(153.0418,12.74);(153.0418,12.74);(154.0622,39.81);(155.05745,25.9);(155.05745,25.9);(155.05745,25.9);(155.05745,25.9);(155.05745,25.9);(155.05745,25.9);(155.05745,25.9);(179.05745,25.09);(179.05745,25.09);(179.05745,25.09);(179.05745,25.09);(179.05745,25.09);(179.05745,25.09);(179.05745,25.09);(179.05745,25.09);(179.05745,25.09);(179.05745,25.09);(181.03671,10.44);(181.03671,10.44);(181.03671,10.44);(181.03671,10.44);(181.03671,10.44);(181.03671,10.44);(197.06801,100.0);(197.06801,100.0);(197.06801,100.0);(197.06801,100.0);(197.06801,100.0);(197.06801,100.0);(197.06801,100.0)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(41.00329,10.97);(41.01452,45.77);(41.99854,100.0);(43.03017,30.9);(44.01419,15.42);(56.01419,42.77);(58.02984,82.41);(58.02984,82.41);(69.00944,75.43);(70.02984,13.38);(83.02509,19.04);(83.02509,19.04);(85.04074,10.84);(97.04074,18.0);(98.03599,18.03);(98.03599,18.03);(98.03599,18.03);(109.04074,14.56);(109.04074,14.56);(124.05164,8.7);(124.05164,8.7);(124.05164,8.7);(125.03565,16.09);(125.03565,16.09);(127.0513,15.31);(127.0513,15.31)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(157.072,34.37);(157.072,34.37);(157.072,34.37);(157.072,34.37);(157.072,34.37);(157.072,34.37);(157.072,34.37);(199.08257,100.0);(199.08257,100.0);(199.08257,100.0);(199.08257,100.0);(199.08257,100.0);(199.08257,100.0);(199.08257,100.0)
Predicted LC-MS/MS	Not Available	Positive	medium	View Spectrum	(43.02907,6.73);(70.02874,10.02);(70.02874,10.02);(72.04439,9.38);(97.03964,4.67);(97.03964,4.67);(100.05054,8.83);(100.05054,8.83);(100.05054,8.83);(102.06619,7.09);(102.06619,7.09);(112.05054,6.71);(112.05054,6.71);(112.05054,6.71);(112.05054,6.71);(127.0502,4.84);(127.0502,4.84);(129.06585,17.82);(140.04545,11.23);(140.04545,11.23);(140.04545,11.23);(140.04545,11.23);(140.04545,11.23);(140.04545,11.23);(140.04545,11.23);(140.04545,11.23);(140.04545,11.23);(142.0611,11.46);(142.0611,11.46);(154.0611,5.19);(155.04512,6.06);(155.05635,10.9);(155.05635,10.9);(155.05635,10.9);(155.05635,10.9);(155.05635,10.9);(156.07675,10.28);(157.072,79.46);(157.072,79.46);(157.072,79.46);(157.072,79.46);(157.072,79.46);(157.072,79.46);(157.072,79.46);(181.072,6.49);(181.072,6.49);(181.072,6.49);(181.072,6.49);(181.072,6.49);(181.072,6.49);(181.072,6.49);(197.06692,13.31);(197.06692,13.31);(199.08257,100.0);(199.08257,100.0);(199.08257,100.0);(199.08257,100.0);(199.08257,100.0);(199.08257,100.0);(199.08257,100.0)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(43.01784,81.27);(45.03349,6.2);(45.04472,14.58);(52.01818,12.49);(54.03383,20.12);(56.04948,27.22);(57.04472,9.81);(57.04472,9.81);(58.02874,29.35);(58.02874,29.35);(60.04439,12.79);(60.04439,12.79);(70.02874,100.0);(70.02874,100.0);(71.02399,29.89);(72.04439,27.32);(72.05562,19.51);(73.03964,28.95);(73.03964,28.95);(79.02907,8.41);(85.03964,6.92);(85.03964,6.92);(85.03964,6.92);(85.03964,6.92);(85.03964,6.92);(96.05562,16.8);(97.03964,53.41);(97.03964,53.41);(100.05054,7.57);(100.05054,7.57);(100.05054,7.57);(102.06619,9.34);(102.06619,9.34);(114.0298,11.46);(114.06619,9.71);(114.06619,9.71);(140.04545,13.74);(140.04545,13.74);(140.04545,13.74);(140.04545,13.74);(140.04545,13.74);(140.04545,13.74);(140.04545,13.74);(140.04545,13.74);(140.04545,13.74);(181.072,10.77);(181.072,10.77);(181.072,10.77);(181.072,10.77);(181.072,10.77);(181.072,10.77);(181.072,10.77);(197.06692,6.21);(197.06692,6.21)

Food Sources

No food source information available

Food Sources of its Food Phytochemical(s)

Food Phytochemical	Food Source	Food Source Group
Caffeine	Arabica coffee	Coffee and coffee products	Publications	Show
Caffeine	Black tea	Teas and herbal teas	Publications	Show
Caffeine	Blackcurrant	Fruit, Berries	Publications	Show
Caffeine	Chocolate	Cocoa and cocoa products	Publications	Show
Caffeine	Cocoa	Cocoa and cocoa products	Publications	Show
Caffeine	Cocoa bean	Cocoa and cocoa products	Publications	Show
Caffeine	Coffee	Coffee and coffee products	Publications	Show
Caffeine	Green tea	Teas and herbal teas	Publications	Show
Caffeine	Green/roasted coffee	Coffee and coffee products	Publications	Show
Caffeine	Guarana	Beverages, Non-alcoholic	Publications	Show
Caffeine	Mate	Teas and herbal teas	Publications	Show
Caffeine	Mocha coffee	Coffee and coffee products	Publications	Show
Caffeine	Roasted coffee	Coffee and coffee products	Publications	Show
Caffeine	Soda	Beverages, Non-alcoholic	Publications	Show
Caffeine	Tea	Teas and herbal teas	Publications	Show

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

	Food Phytochemical		Metabolite	Species	Biofluids	Origin	TMax	CMax	Urinary Excretion	Formula	Monoisotopic mass
	Caffeine		5-acetyl-amino-6-amino-3-methyluracil	human	urine	host metabolism	Not Available	Not Available	10-30%	C₇H₁₀N₄O₃	198.075290198	Detailed Intervention Studies	Publications

Inter-Individual Variations in Metabolism

	Food Phytochemical		Metabolite	Effect	Value
	Caffeine		5-acetyl-amino-6-amino-3-methyluracil	Bmi	Effect, clusters	Publications

Back

Showing entry for 5-acetyl-amino-6-amino-3-methyluracil