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CHEBI:17509 - 5'-S-methyl-5'-thioadenosine

ChEBI IDCHEBI:17509
ChEBI Name5'-S-methyl-5'-thioadenosine
Stars
ASCII Name5'-S-methyl-5'-thioadenosine
DefinitionAdenosine with the hydroxy group at C-5' substituted with a methylthio (methylsulfanyl) group.
Secondary ChEBI IDsCHEBI:1966, CHEBI:1986, CHEBI:12055, CHEBI:12064, CHEBI:12771, CHEBI:14605, CHEBI:18175, CHEBI:20491, CHEBI:20494, CHEBI:44181
Last Modified27 January 2016
DownloadsMolfile

FormulaC11H15N5O3S
Net Charge0
Average Mass297.340
Monoisotopic Mass297.08956
SMILESCSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)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-/m1/s1
InChIKeyWUUGFSXJNOTRMR-IOSLPCCCSA-N

Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Chlamydomonas reinhardtii (ncbitaxon:3055) - PubMed (25515814)
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Escherichia coli (ncbitaxon:562) - PubMed (21988831)
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification

ChEBI Ontology
IUPAC Name 
5'-deoxy-5'-(methylsulfanyl)adenosine
Synonyms  Source
5'-MethylthioadenosineKEGG COMPOUND
MethylthioadenosineKEGG COMPOUND
5-MethylthioadenosineKEGG COMPOUND
5'-Deoxy-5'-(methylthio)adenosineKEGG COMPOUND
ThiomethyladenosineKEGG COMPOUND
MTAKEGG COMPOUND
UniProt Name  Source
S-methyl-5'-thioadenosineUniProt
Manual XrefsDatabases
C00170KEGG COMPOUND
DB02282DrugBank
5-METHYLTHIOADENOSINEMetaCyc
HMDB0001173HMDB
Registry NumbersSources
Beilstein:42420Beilstein
Reaxys:42420Reaxys
CAS:2457-80-9KEGG COMPOUND
CAS:2457-80-9ChemIDplus
Citations