CHEBI:17319 - 5'-deoxyadenosine

ChEBI IDCHEBI:17319
ChEBI Name5'-deoxyadenosine
Stars
DefinitionA 5'-deoxyribonucleoside compound having adenosine as the nucleobase.
Secondary ChEBI IDsCHEBI:1960, CHEBI:12061, CHEBI:20493, CHEBI:40099
Last Modified27 January 2016
DownloadsMolfile
FormulaC10H13N5O3
Net Charge0
Average Mass251.246
Monoisotopic Mass251.10184
SMILESC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C10H13N5O3/c1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15/h2-4,6-7,10,16-17H,1H3,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
InChIKeyXGYIMTFOTBMPFP-KQYNXXCUSA-N
Species of MetaboliteComponentSourceComments
Escherichia coli (ncbitaxon:562) - PubMed (21988831)
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
5'-deoxyadenosine (CHEBI:17319) has functional parent adenosine (CHEBI:16335)
5'-deoxyadenosine (CHEBI:17319) has role Escherichia coli metabolite (CHEBI:76971)
5'-deoxyadenosine (CHEBI:17319) has role human metabolite (CHEBI:77746)
5'-deoxyadenosine (CHEBI:17319) has role mouse metabolite (CHEBI:75771)
5'-deoxyadenosine (CHEBI:17319) is a 5'-deoxyribonucleoside (CHEBI:36988)
5'-deoxyadenosine (CHEBI:17319) is a adenosines (CHEBI:22260)
IUPAC Name 
5'-deoxyadenosine
Synonyms  Source
5'-DeoxyadenosineKEGG COMPOUND
5'-DEOXYADENOSINEPDBeChem
UniProt Name  Source
5'-deoxyadenosineUniProt
Manual XrefsDatabases
C05198KEGG COMPOUND
C05198KEGG COMPOUND
5ADPDBeChem
CH33ADOMetaCyc
HMDB0001983HMDB
Registry NumbersSources
Reaxys:91536Reaxys
CAS:4754-39-6KEGG COMPOUND
CAS:4754-39-6ChemIDplus
Citations