| SpectraBase Spectrum ID |
6DCZzeoBlyB |
| Name |
5'-deoxy-5'-methylthioadenosine, 2TMS |
| Comments |
Derivatization type: 2 TMS (mass: 441.169); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000201; Note: The molecular formula of the structure shown is C11H15N5O3S - which differs from the formula reported for the mass spectrum (C17H31N5O3SSi2) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H31N5O3SSi2 |
| InChI |
InChI=1S/C17H31N5O3SSi2/c1-26-8-11-13(24-27(2,3)4)14(25-28(5,6)7)17(23-11)22-10-21-12-15(18)19-9-20-16(12)22/h9-11,13-14,17H,8H2,1-7H3,(H2,18,19,20)/t11-,13-,14-,17-/m1/s1 |
| InChIKey |
BJFTXDTWJLXWJZ-LSCFUAHRSA-N |
| Molecular Weight |
441.697 g/mol |
| SMILES |
Nc1c2c(ncn1)[n](cn2)[C@]1([C@@]([C@@]([C@@](CSC)(O1)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])[H] |
| SPLASH |
splash10-01ti-0900000000-b97e27c574c6e3879299 |
| Source of Spectrum |
FM-2019-201-0 |
| Synonyms |
Methylthioadenosine, 2TMS
Xylo-mta, 2TMS
MeSAdo, 2TMS
5'-methylthioadenosine, 2TMS
5-Methylthioadenosine, 2TMS
Vitamin L(sub 2), 2TMS
2-(6-aminopurin-9-yl)-5-(methylsulfanylmethyl)oxolane-3,4-diol, 2TMS
9-((2R,3R,4R,5S)-5-((methylthio)methyl)-3,4-bis((trimethylsilyl)oxy)tetrahydrofuran-2-yl)-9H-purin-6-amine |
| Wiley ID |
1817892 |
