EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:74046 - 5'-ethylthioadenosine

ChEBI IDCHEBI:74046
ChEBI Name5'-ethylthioadenosine
Stars
DefinitionA thioadenosine that is adenosine with the hydroxy group at C-5' substituted with an ethylthio (ethylsulfanyl) group.
Last Modified19 September 2013
Submittermwilliams
DownloadsMolfile
FormulaC12H17N5O3S
Net Charge0
Average Mass311.367
Monoisotopic Mass311.10521
SMILESCCSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C12H17N5O3S/c1-2-21-3-6-8(18)9(19)12(20-6)17-5-16-7-10(13)14-4-15-11(7)17/h4-6,8-9,12,18-19H,2-3H2,1H3,(H2,13,14,15)/t6-,8-,9-,12-/m1/s1
InChIKeyHMXHURAGFHWODC-WOUKDFQISA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
5'-ethylthioadenosine (CHEBI:74046) has functional parent adenosine (CHEBI:16335)
5'-ethylthioadenosine (CHEBI:74046) has role metabolite (CHEBI:25212)
5'-ethylthioadenosine (CHEBI:74046) is a thioadenosine (CHEBI:26953)
IUPAC Name 
5'-S-ethyl-5'-thioadenosine
Synonym  Source
S-adenosylethanePDBeChem
Manual XrefsDatabases
3DHPDBeChem
DB07052DrugBank
Registry NumbersSources
Reaxys:45581Reaxys