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CHEBI:64336 - 5-carboxymethylaminomethyl-2-thiouridine

ChEBI IDCHEBI:64336
ChEBI Name5-carboxymethylaminomethyl-2-thiouridine
Stars
DefinitionA thiouridine that is 2-thiouridine bearing an additional carboxymethylaminomethyl substituent at position 5 on the thiouracil ring.
Last Modified13 April 2016
SubmitterSteve
DownloadsMolfile
FormulaC12H17N3O7S
Net Charge0
Average Mass347.349
Monoisotopic Mass347.07872
SMILESO=C(O)CNCc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=S)nc1=O
InChIInChI=1S/C12H17N3O7S/c16-4-6-8(19)9(20)11(22-6)15-3-5(1-13-2-7(17)18)10(21)14-12(15)23/h3,6,8-9,11,13,16,19-20H,1-2,4H2,(H,17,18)(H,14,21,23)/t6-,8-,9-,11-/m1/s1
InChIKeyVKLFQTYNHLDMDP-PNHWDRBUSA-N
Species of MetaboliteComponentSourceComments
Mycoplasma genitalium (ncbitaxon:2097) - PubMed (22817898)
Roles Classification
Biological Role:
Mycoplasma genitalium metabolite  Any bacterial metabolite produced during a metabolic reaction in Mycoplasma genitalium.
ChEBI Ontology
Outgoing Relation(s)
5-carboxymethylaminomethyl-2-thiouridine (CHEBI:64336) has role Mycoplasma genitalium metabolite (CHEBI:131604)
5-carboxymethylaminomethyl-2-thiouridine (CHEBI:64336) is a glycine derivative (CHEBI:24373)
5-carboxymethylaminomethyl-2-thiouridine (CHEBI:64336) is a thiouridine (CHEBI:26978)
IUPAC Name 
N-{[4-oxo-1-(β-D-ribofuranosyl)-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl]methyl}glycine
Synonyms  Source
cmnm5s2uChEBI
5-(Carboxymethylaminomethyl)-2-thiouridineChemIDplus
2-thio-5-{[(carboxymethyl)amino]methyl}uridineChEBI
Registry NumbersSources
Reaxys:4575275Reaxys
CAS:78173-95-2ChemIDplus
Citations