1.0 2010-04-08 22:11:19 UTC 2019-11-26 03:10:15 UTC FDB014518 1-Methylguanine Present in Chinese cabbage (Brassica chinensis), and other plants 1-Methylguanine is a naturally occurring modified purine derived from tRNA, found in elevated levels in the serum and urine of cancer patients. (PMID: 2413515); Increase of 1-methylguanine in the urine of colorectal tumor bearing patients, has been justified either by a more rapid turnover of nucleic acids in tumor tissue or by an increase in the extent of their methylation. (PMID: 9069642) 1-methyl-(8CI)-guanine 1-methyl-guanine 2-amino-1-methyl-1,9-dihydro-6H-purin-6-one 2-Amino-1,7-dihydro-1-methyl-6H-purin-6-one 2-Amino-1,7-dihydro-1-methyl-6H-purin-6-one, 9CI 2-Amino-6-hydroxy-1-methylpurine 6H-Purin-6-one, 2-amino-1,7-dihydro-1-methyl- 6H-Purin-6-one, 2-amino-1,7-dihydro-1-methyl- (9CI) Guanine, 1-methyl- Guanine, 1-methyl- (8CI) N1-Methylguanine rRNA containing N1-methylguanine C12H14N10O2 330.3054 330.130119742 bis(2-imino-1-methyl-2,3,6,9-tetrahydro-1H-purin-6-one) bis(1-methyl-(8CI)-guanine) 938-85-2 CN1C(N)=NC2=C(NC=N2)C1=O.CN1C(N)=NC2=C(N=CN2)C1=O InChI=1S/2C6H7N5O/c2*1-11-5(12)3-4(9-2-8-3)10-6(11)7/h2*2H,1H3,(H2,7,10)(H,8,9) XIUGXLYVSVNLRR-UHFFFAOYSA-N belongs to the class of organic compounds known as 6-oxopurines. These are purines that carry a C=O group at position 6. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring. 6-oxopurines Organic compounds Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Imidazoles Lactams Organic oxides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Pyrimidones Vinylogous amides 6-oxopurine Aromatic heteropolycyclic compound Azacycle Azole Heteroaromatic compound Hydrocarbon derivative Imidazole Lactam Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyrimidine Pyrimidone Vinylogous amide Solid logp -0.85 ALOGPS logs -2.15 ALOGPS solubility 1.16e+00 g/l ALOGPS melting_point Mp 350° logp -0.01 ChemAxon pka_strongest_acidic 13.14 ChemAxon pka_strongest_basic 3.1 ChemAxon iupac bis(2-imino-1-methyl-2,3,6,9-tetrahydro-1H-purin-6-one) ChemAxon average_mass 330.3054 ChemAxon mono_mass 330.130119742 ChemAxon smiles CN1C(N)=NC2=C(NC=N2)C1=O.CN1C(N)=NC2=C(N=CN2)C1=O ChemAxon formula C12H14N10O2 ChemAxon inchi InChI=1S/2C6H7N5O/c2*1-11-5(12)3-4(9-2-8-3)10-6(11)7/h2*2H,1H3,(H2,7,10)(H,8,9) ChemAxon inchikey XIUGXLYVSVNLRR-UHFFFAOYSA-N ChemAxon polar_surface_area 84.87 ChemAxon refractivity 52.98 ChemAxon polarizability 15.39 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon HMDB03282 21803 #<Reference:0x000055ce32406068> #<Reference:0x000055ce32405eb0> #<Reference:0x000055ce32405cf8> #<Reference:0x000055ce32405b40> Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Brassicas Unknown generic 3705 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823