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

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ChEBI Name 5'-deoxy-5'-(methylsulfinyl)adenosine
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
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Formula C11H15N5O4S
Net Charge 0
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
SMILES NC=1N=CN=C2C1N=CN2[C@@H]3O[C@H](CS(=O)C)[C@@H](O)[C@H]3O
Metabolite of Species Details
Camellia sinensis (NCBI:txid4442) See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed
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.
View more via ChEBI Ontology
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)
Synonyms Sources
5'-deoxy-5'-(methanesulphinyl)adenosine ChEBI
5'-deoxy-5'-methylsulfinyladenosine ChEBI
5'-Deoxy-5'-S-adenosylmethyl sulfoxide ChemIDplus
Methylthioadenosine sulfoxide ChemIDplus
Manual Xref Database
HMDB0033662 HMDB
View more database links
Registry Numbers Types Sources
3387-65-3 CAS Registry Number ChemIDplus
4332753 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
10616723 PubMed citation Europe PMC
1655032 PubMed citation Europe PMC
4052062 PubMed citation Europe PMC
Last Modified
15 February 2018