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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 3'-O-[beta-D-galactopyranosyl-(1-->4)-beta-D-galactopyranosyl]-5-bromouridine
ChEBI ID CHEBI:197711
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H31BrN2O16
Net Charge 0
Average Mass 647.381
Monoisotopic Mass 646.08570
InChI InChI=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)
InChIKey ZRFHANMLDVJQDW-UHFFFAOYSA-N
SMILES BrC=1C(=O)NC(=O)N(C1)C2OC(CO)C(C2O)OC3OC(C(OC4OC(C(O)C(C4O)O)CO)C(C3O)O)CO
Metabolite of Species Details
Hamamotoa singularis (NCBI:txid5445) See: PubMed
ChEBI Ontology
Outgoing 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
Manual Xref Database
78443855 ChemSpider
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