EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:142166 - 5-(2-aminoethyl)-2'-deoxyuridine

ChEBI IDCHEBI:142166
ChEBI Name5-(2-aminoethyl)-2'-deoxyuridine
Stars
DefinitionA pyrimidine 2'-deoxyribonucleoside that is 2'-deoxyuridine in which the hydrogen at position 5 has been replaced by a 2-aminoethyl group. It is a thymidine hypermodification replacing 30% of thymidine in the DNA of the Pseudomonas phage M6.
Last Modified10 September 2018
SubmitterGareth Owen
DownloadsMolfile
FormulaC11H17N3O5
Net Charge0
Average Mass271.273
Monoisotopic Mass271.11682
SMILESNCCc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1=O
InChIInChI=1S/C11H17N3O5/c12-2-1-6-4-14(11(18)13-10(6)17)9-3-7(16)8(5-15)19-9/h4,7-9,15-16H,1-3,5,12H2,(H,13,17,18)/t7-,8+,9+/m0/s1
InChIKeyWTDDCUXJNCBBKI-DJLDLDEBSA-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-aminoethyl)-2'-deoxyuridine (CHEBI:142166) has functional parent 2'-deoxyuridine (CHEBI:16450)
5-(2-aminoethyl)-2'-deoxyuridine (CHEBI:142166) is a primary amino compound (CHEBI:50994)
5-(2-aminoethyl)-2'-deoxyuridine (CHEBI:142166) is a pyrimidine 2'-deoxyribonucleoside (CHEBI:19255)
IUPAC Name 
5-(2-aminoethyl)-2'-deoxyuridine
Synonyms  Source
5-NedUChEBI
5-(2-aminoethyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4(1H,3H)-dioneChEBI
5-(2-aminoethyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dioneChEBI
Citations