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CHEBI:197711 - 3'-O-[beta-D-galactopyranosyl-(1-->4)-beta-D-galactopyranosyl]-5-bromouridine

ChEBI IDCHEBI:197711
ChEBI Name3'-O-[beta-D-galactopyranosyl-(1-->4)-beta-D-galactopyranosyl]-5-bromouridine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H31BrN2O16
Net Charge0
Average Mass647.381
Monoisotopic Mass646.08570
SMILESO=c1nc(=O)n(C2OC(CO)C(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C2O)cc1Br
InChIInChI=1S/C21H31BrN2O16/c22-5-1-24(21(35)23-17(5)34)18-14(33)16(7(3-26)36-18)40-20-13(32)11(30)15(8(4-27)38-20)39-19-12(31)10(29)9(28)6(2-25)37-19/h1,6-16,18-20,25-33H,2-4H2,(H,23,34,35)
InChIKeyZRFHANMLDVJQDW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Hamamotoa singularis (ncbitaxon:5445) - PubMed (12723618)
ChEBI Ontology
Outgoing Relation(s)
3'-O-[beta-D-galactopyranosyl-(1-->4)-beta-D-galactopyranosyl]-5-bromouridine (CHEBI:197711) is a pyrimidine nucleoside (CHEBI:26440)
IUPAC Name 
5-bromo-1-[4-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
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