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1-methyladenosine

AlkaPlorer ID: AK002948

Synonym: '1-Methyladenosine', '1-methyladenosine', 'm1a'

IUPAC Name: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-imino-1-methylpurin-9-yl)oxolane-3,4-diol

Structure

SMILES: CN1C=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1=N

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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

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InChIKey: GFYLSDSUCHVORB-IOSLPCCCSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Homo sapiens Homo Hominidae Primates Mammalia Chordata Metazoa Eukaryota

Properties Information

Molecule Weight: 281.272

TPSA？: 129.41000000000005

MolLogP？: -2.139229999999999

Number of H-Donors: 4

Number of H-Acceptors: 9

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Regulator of G-protein signaling 4 Potency 946.6 nM None
Tick-borne encephalitis virus Tick-borne encephalitis virus EC50 50000.0 nM 10.1016/j.bmcl.2017.01.040
Tick-borne encephalitis virus Tick-borne encephalitis virus Inhibition nan % 10.1016/j.bmcl.2017.01.040
None Unchecked CC50 nan None 10.1016/j.bmcl.2017.01.040

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT015546 Cn1cnc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1=N>>Cn1cnc2ncnc-2c1N MNXR173898
AKRT015547 Cn1cnc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1=N>>O=C[C@H](O)[C@H](O)[C@H](O)CO MNXR173898
AKRT015548 Cn1cnc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1=N>>OC[C@H]1OC(O)[C@H](O)[C@@H]1O 1-METHYLADENOSINE-NUCLEOSIDASE-RXN
AKRT015557 Cn1cnc2ncnc-2c1N.OC[C@H]1O[C@@H](O)[C@H](O)[C@@H]1O>>Cn1cnc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1=N MNXR173356