5'-deoxy-5'-(methylsulfinyl)adenosine
AlkaPlorer ID: AK077480
Synonym: 'Methylthioadenosine sulfoxide', '737-74-6', "5'-Deoxy-5'-S-adenosylmethyl sulfoxide", "5'-deoxy-5'-methylsulfinyladenosine", "5'-deoxy-5'-(methanesulphinyl)adenosine"
IUPAC Name: (2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(methylsulfinylmethyl)oxolane-3,4-diol
Structure
SMILES: CS(=O)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O
InChI: InChI=1S/C11H15N5O4S/c1-21(19)2-5-7(17)8(18)11(20-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-,21?/m1/s1
InChIKey: WXOJULRVRHWMGT-JLQSGANNSA-N
Reference
5′-Deoxy-5′-methylsulphinyladenosine, a platelet aggregation inhibitor from Ganoderma lucidum
PubChem CID: 165114
LOTUS: LTS0041369
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ganoderma lucidum | Ganoderma | Polyporaceae | Polyporales | Agaricomycetes | Basidiomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 313.339
TPSA？: 136.38
MolLogP？: -1.5937999999999992
Number of H-Donors: 3
Number of H-Acceptors: 9
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Fatty acid synthase | Ki | 500000.0 | nM | 10.1016/j.bmcl.2004.01.051 |
| Mus musculus | RAW264.7 | IC50 | 10000.0 | nM | 10.1016/j.bmcl.2017.04.072 |