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> Main
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.
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This entity has been manually annotated by the ChEBI Team.
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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.
View more via ChEBI Ontology
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