CHEBI:74046 - 5'-ethylthioadenosine

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ChEBI Name 5'-ethylthioadenosine
ChEBI ID CHEBI:74046
Definition A thioadenosine that is adenosine with the hydroxy group at C-5' substituted with an ethylthio (ethylsulfanyl) group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C12H17N5O3S
Net Charge 0
Average Mass 311.36000
Monoisotopic Mass 311.10521
InChI InChI=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
InChIKey HMXHURAGFHWODC-WOUKDFQISA-N
SMILES CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing 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-adenosylethane PDBeChem
Manual Xrefs Databases
3DH PDBeChem
DB07052 DrugBank
View more database links
Registry Number Type Source
45581 Reaxys Registry Number Reaxys
Last Modified
19 September 2013