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

ChEBI IDCHEBI:136554
ChEBI Name5'-deoxy-5'-(methylsulfinyl)adenosine
Stars
DefinitionA member of the class of adenosines obtained by replacement of the 5'-hydroxy group of adenosine by a methylsulfinyl group.
Last Modified15 February 2018
SubmitterKeeva
DownloadsMolfile
FormulaC11H15N5O4S
Net Charge0
Average Mass313.339
Monoisotopic Mass313.08447
SMILESCS(=O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
InChIInChI=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
InChIKeyWXOJULRVRHWMGT-JLQSGANNSA-N
Species of MetaboliteComponentSourceComments
Camellia sinensis (ncbitaxon:4442) - MetaboLights (MTBLS403)
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) PubMed (4052062)
Roles Classification
Biological Roles:
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 Relation(s)
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  Source
5'-deoxy-5'-methylsulfinyladenosineChEBI
5'-Deoxy-5'-S-adenosylmethyl sulfoxideChemIDplus
Methylthioadenosine sulfoxideChemIDplus
5'-deoxy-5'-(methanesulphinyl)adenosineChEBI
Manual XrefsDatabases
HMDB0033662HMDB
Registry NumbersSources
Reaxys:4332753Reaxys
CAS:3387-65-3ChemIDplus
Citations