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CHEBI:102485 - 5-carboxy-2'-deoxyuridine

ChEBI IDCHEBI:102485
ChEBI Name5-carboxy-2'-deoxyuridine
Stars
DefinitionA nucleoside analogue that is 2'-deoxyuridine in which the hydrogen at position 5 on the uracil ring is replaced by a carboxy group.
Last Modified4 April 2016
DownloadsMolfile
FormulaC10H12N2O7
Net Charge0
Average Mass272.213
Monoisotopic Mass272.06445
SMILESO=C(O)c1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1=O
InChIInChI=1S/C10H12N2O7/c13-3-6-5(14)1-7(19-6)12-2-4(9(16)17)8(15)11-10(12)18/h2,5-7,13-14H,1,3H2,(H,16,17)(H,11,15,18)/t5-,6+,7+/m0/s1
InChIKeyGAGYTXTVUMXAOC-RRKCRQDMSA-N
Species of MetaboliteComponentSourceComments
Mycoplasma genitalium (ncbitaxon:2097) - PubMed (22817898)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
Mycoplasma genitalium metabolite  Any bacterial metabolite produced during a metabolic reaction in Mycoplasma genitalium.
ChEBI Ontology
Outgoing Relation(s)
5-carboxy-2'-deoxyuridine (CHEBI:102485) has functional parent uracil (CHEBI:17568)
5-carboxy-2'-deoxyuridine (CHEBI:102485) has role Mycoplasma genitalium metabolite (CHEBI:131604)
5-carboxy-2'-deoxyuridine (CHEBI:102485) has role drug metabolite (CHEBI:49103)
5-carboxy-2'-deoxyuridine (CHEBI:102485) is a aromatic carboxylic acid (CHEBI:33859)
5-carboxy-2'-deoxyuridine (CHEBI:102485) is a nucleoside analogue (CHEBI:60783)
5-carboxy-2'-deoxyuridine (CHEBI:102485) is a pyrimidine 2'-deoxyribonucleoside (CHEBI:19255)
IUPAC Name 
5-carboxy-2'-deoxyuridine
Synonym  Source
2'-Deoxy-5-carboxyuridineChemIDplus
Manual XrefsDatabases
HMDB0060774HMDB
Registry NumbersSources
Reaxys:433778Reaxys
CAS:14599-46-3ChemIDplus
Citations