1.0
2011-04-08 19:14:15 UTC
2019-11-26 03:20:52 UTC
FDB021791
1-Methyladenosine
Modified nucleoside present in t-RNA's [DFC]
Minor constituant of raw bovine milk
N,6-Didehydro-1,6-dihydro-1-methyladenosine, 9CI
N1-Methyladenosine
C11H15N5O4
281.2679
281.112403993
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-imino-1-methyl-6,9-dihydro-1H-purin-9-yl)oxolane-3,4-diol
1-methyladenosine
15763-06-1
CN1C=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1=N
InChI=1S/C11H15N5O4/c1-15-3-14-10-6(9(15)12)13-4-16(10)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,11-12,17-19H,2H2,1H3/t5-,7-,8-,11-/m1/s1
GFYLSDSUCHVORB-IOSLPCCCSA-N
belongs to the class of organic compounds known as purine nucleosides. Purine nucleosides are compounds comprising a purine base attached to a ribosyl or deoxyribosyl moiety.
Purine nucleosides
Organic compounds
Nucleosides, nucleotides, and analogues
Purine nucleosides
Aromatic heteropolycyclic compounds
Azacyclic compounds
Glycosylamines
Heteroaromatic compounds
Hydrocarbon derivatives
Imidolactams
N-substituted imidazoles
Organonitrogen compounds
Organopnictogen compounds
Oxacyclic compounds
Pentoses
Primary alcohols
Purines and purine derivatives
Pyrimidines and pyrimidine derivatives
Secondary alcohols
Tetrahydrofurans
Alcohol
Aromatic heteropolycyclic compound
Azacycle
Azole
Glycosyl compound
Heteroaromatic compound
Hydrocarbon derivative
Imidazole
Imidazopyrimidine
Imidolactam
Monosaccharide
N-glycosyl compound
N-substituted imidazole
Organic nitrogen compound
Organic oxygen compound
Organoheterocyclic compound
Organonitrogen compound
Organooxygen compound
Organopnictogen compound
Oxacycle
Pentose monosaccharide
Primary alcohol
Purine
Purine nucleoside
Pyrimidine
Secondary alcohol
Tetrahydrofuran
methyladenosine
Solid
logp
-1.83
logs
-1.58
solubility
7.33e+00 g/l
logp
-2.1
pka_strongest_acidic
12.45
pka_strongest_basic
2.98
iupac
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-imino-1-methyl-6,9-dihydro-1H-purin-9-yl)oxolane-3,4-diol
average_mass
281.2679
mono_mass
281.112403993
smiles
CN1C=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1=N
formula
C11H15N5O4
inchi
InChI=1S/C11H15N5O4/c1-15-3-14-10-6(9(15)12)13-4-16(10)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,11-12,17-19H,2H2,1H3/t5-,7-,8-,11-/m1/s1
inchikey
GFYLSDSUCHVORB-IOSLPCCCSA-N
polar_surface_area
127.19
refractivity
79.1
polarizability
27.56
rotatable_bond_count
2
acceptor_count
8
donor_count
4
physiological_charge
0
formal_charge
0
Specdb::NmrTwoD
1884
Specdb::CMs
837
Specdb::CMs
26098
Specdb::CMs
30415
Specdb::CMs
32245
Specdb::CMs
32246
Specdb::CMs
38570
Specdb::CMs
166720
Specdb::NmrOneD
1950
Specdb::NmrOneD
149480
Specdb::NmrOneD
149481
Specdb::NmrOneD
149482
Specdb::NmrOneD
149483
Specdb::NmrOneD
149484
Specdb::NmrOneD
149485
Specdb::NmrOneD
149486
Specdb::NmrOneD
149487
Specdb::NmrOneD
149488
Specdb::NmrOneD
149489
Specdb::NmrOneD
149490
Specdb::NmrOneD
149491
Specdb::NmrOneD
149492
Specdb::NmrOneD
149493
Specdb::NmrOneD
149494
Specdb::NmrOneD
149495
Specdb::NmrOneD
149496
Specdb::NmrOneD
149497
Specdb::NmrOneD
149498
Specdb::NmrOneD
149499
Specdb::MsMs
2245
Specdb::MsMs
2246
Specdb::MsMs
2247
Specdb::MsMs
5896
Specdb::MsMs
5897
Specdb::MsMs
5898
Specdb::MsMs
5899
Specdb::MsMs
5900
Specdb::MsMs
5901
Specdb::MsMs
5902
Specdb::MsMs
323824
Specdb::MsMs
323825
Specdb::MsMs
323826
Specdb::MsMs
372079
Specdb::MsMs
372080
Specdb::MsMs
372081
Specdb::MsMs
439537
Specdb::MsMs
439538
Specdb::MsMs
439539
Specdb::MsMs
439540
Specdb::MsMs
439541
Specdb::MsMs
439542
Specdb::MsMs
446530
Specdb::MsMs
446531
Specdb::MsMs
446532
HMDB03331
#<Reference:0x00005556760aeb88>
#<Reference:0x00005556760ae908>
#<Reference:0x00005556760ae660>
#<Reference:0x00005556760ae3b8>
#<Reference:0x00005556760ae200>
#<Reference:0x00005556760ae020>
#<Reference:0x00005556760addf0>
Anatidae
Type 1
specific
Anatidae
8830
Beefalo
Type 1
specific
Bos taurus X Bison bison
297284
Bison
Type 1
specific
Bison bison
9901
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
Milk (Cow)
Type 2
specific
0.7
0.7
0.7
uM
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