Molecule

5-Methylcytidine

AlkaPlorer ID: AK002777

Synonym: None

IUPAC Name: 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one

SMILES: CC1=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(O)=NC1=N

InChI: InChI=1S/C10H15N3O5/c1-4-2-13(10(17)12-8(4)11)9-7(16)6(15)5(3-14)18-9/h2,5-7,9,14-16H,3H2,1H3,(H2,11,12,17)/t5-,6-,7-,9-/m1/s1

InChIKey: ZAYHVCMSTBRABG-JXOAFFINSA-N

PubChem CID: 92918

CAS: 2140-61-6

NPASS: NPC328806

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

Molecule Weight: 257.246

TPSA？: 131.82000000000002

MolLogP？: -2.01191

Number of H-Donors: 5

Number of H-Acceptors: 8

RingCount: 2

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Chlorocebus sabaeus	Vero	IC50	0.06	nM	10.1021/jm981132u
Mus musculus	L1210	ID50	94.0	ug ml-1	10.1021/jm00121a040
Mus musculus	L1210/ara C	Activity	nan	None	10.1021/jm00121a040

AKRT ID	Reaction	Reaction Link ID
AKRT015076	Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)nc1N>>Cc1cn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)nc1N	enzymemap_44676