| SpectraBase Spectrum ID |
4GhrfNlS0EQ |
| Name |
5'-deoxy-5'-methylthioadenosine, 3TMS |
| Comments |
Derivatization type: 3 TMS (mass: 513.208); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000200; Note: The molecular formula of the structure shown is C11H15N5O3S - which differs from the formula reported for the mass spectrum (C20H39N5O3SSi3) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H39N5O3SSi3 |
| InChI |
InChI=1S/C20H39N5O3SSi3/c1-29-11-14-16(27-31(5,6)7)17(28-32(8,9)10)20(26-14)25-13-23-15-18(24-30(2,3)4)21-12-22-19(15)25/h12-14,16-17,20H,11H2,1-10H3,(H,21,22,24)/t14-,16-,17-,20-/m1/s1 |
| InChIKey |
BAKWXPKBSGCDPL-WVSUBDOOSA-N |
| Molecular Weight |
513.879 g/mol |
| SMILES |
N(c1c2c(ncn1)[n](cn2)[C@]1([C@@]([C@@]([C@@](CSC)(O1)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])[H])[Si](C)(C)C |
| SPLASH |
splash10-000i-0940000000-59e9c21853a1f5591352 |
| Source of Spectrum |
FM-2019-200-0 |
| Synonyms |
Methylthioadenosine, 3TMS
Xylo-mta, 3TMS
MeSAdo, 3TMS
5'-methylthioadenosine, 3TMS
5-Methylthioadenosine, 3TMS
Vitamin L(sub 2), 3TMS
2-(6-aminopurin-9-yl)-5-(methylsulfanylmethyl)oxolane-3,4-diol, 3TMS
9-((2R,3R,4R,5S)-5-((methylthio)methyl)-3,4-bis((trimethylsilyl)oxy)tetrahydrofuran-2-yl)-N-(trimethylsilyl)-9H-purin-6-amine |
| Wiley ID |
1817891 |
