EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:142164 - 5-(2-aminoethoxy)methyl-2'-deoxyuridine

ChEBI IDCHEBI:142164
ChEBI Name5-(2-aminoethoxy)methyl-2'-deoxyuridine
Stars
DefinitionA pyrimidine 2'-deoxyribonucleoside that is 5-hydroxymethyl-2'-deoxyuridine in which the hydroxymethyl group at position 5 has been formally converted to the corresponding 2-aminoethyl ether. It is a thymidine hypermodification replacing 40% of thymidine nucleotides in the Salmonella phage ViI.
Last Modified10 September 2018
SubmitterGareth Owen
DownloadsMolfile
FormulaC12H19N3O6
Net Charge0
Average Mass301.299
Monoisotopic Mass301.12739
SMILESNCCOCc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1=O
InChIInChI=1S/C12H19N3O6/c13-1-2-20-6-7-4-15(12(19)14-11(7)18)10-3-8(17)9(5-16)21-10/h4,8-10,16-17H,1-3,5-6,13H2,(H,14,18,19)/t8-,9+,10+/m0/s1
InChIKeyYRTWGZACASMEIB-IVZWLZJFSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
5-(2-aminoethoxy)methyl-2'-deoxyuridine (CHEBI:142164) has functional parent 5-hydroxymethyl-2'-deoxyuridine (CHEBI:61288)
5-(2-aminoethoxy)methyl-2'-deoxyuridine (CHEBI:142164) is a primary amino compound (CHEBI:50994)
5-(2-aminoethoxy)methyl-2'-deoxyuridine (CHEBI:142164) is a pyrimidine 2'-deoxyribonucleoside (CHEBI:19255)
IUPAC Name 
5-[(2-aminoethoxy)methyl]-2'-deoxyuridine
Synonyms  Source
5-NeOmdUChEBI
5-[(2-aminoethoxy)methyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4(1H,3H)-dioneChEBI
5-(2-aminoethoxymethyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dioneChEBI
Citations