5'-deoxy-5'-(methylsulfinyl)adenosine (CHEBI:136554)

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ChEBI Name	5'-deoxy-5'-(methylsulfinyl)adenosine

ChEBI ID	CHEBI:136554

Definition	A member of the class of adenosines obtained by replacement of the 5'-hydroxy group of adenosine by a methylsulfinyl group.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C11H15N5O4S

Net Charge

Average Mass

313.334

Monoisotopic Mass

313.08448

InChI

InChI=1S/C11H15N5O4S/c1-21(19)2-5-7(17)8(18)11(20-5)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-,21?/m1/s1

InChIKey

WXOJULRVRHWMGT-JLQSGANNSA-N

SMILES

NC=1N=CN=C2C1N=CN2[C@@H]3O[C@H](CS(=O)C)[C@@H](O)[C@H]3O

Roles Classification
Biological Role(s):	Camellia sinensis metabolite Any plant metabolite that is produced by Camellia sinensis. human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples.

ChEBI Ontology
Outgoing	5'-deoxy-5'-(methylsulfinyl)adenosine (CHEBI:136554) has role Camellia sinensis metabolite (CHEBI:140160) 5'-deoxy-5'-(methylsulfinyl)adenosine (CHEBI:136554) has role human urinary metabolite (CHEBI:84087) 5'-deoxy-5'-(methylsulfinyl)adenosine (CHEBI:136554) is a adenosines (CHEBI:22260) 5'-deoxy-5'-(methylsulfinyl)adenosine (CHEBI:136554) is a sulfoxide (CHEBI:22063)

IUPAC Name

5'-deoxy-5'-(methanesulfinyl)adenosine

Synonyms	Sources
5'-deoxy-5'-(methanesulphinyl)adenosine	ChEBI
5'-deoxy-5'-methylsulfinyladenosine	ChEBI
5'-Deoxy-5'-S-adenosylmethyl sulfoxide	ChemIDplus
Methylthioadenosine sulfoxide	ChemIDplus

Last Modified

15 February 2018