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CHEBI:28997 - 2'-deoxyinosine

ChEBI IDCHEBI:28997
ChEBI Name2'-deoxyinosine
Stars
DefinitionA purine 2'-deoxyribonucleoside that is inosine in which the hydroxy group at position 2' is replaced by a hydrogen.
Secondary ChEBI IDsCHEBI:4413, CHEBI:19248, CHEBI:23629, CHEBI:39841, CHEBI:43293, CHEBI:43436, CHEBI:43437
Last Modified27 January 2016
DownloadsMolfile
FormulaC10H12N4O4
Net Charge0
Average Mass252.230
Monoisotopic Mass252.08585
SMILESO=c1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C10H12N4O4/c15-2-6-5(16)1-7(18-6)14-4-13-8-9(14)11-3-12-10(8)17/h3-7,15-16H,1-2H2,(H,11,12,17)/t5-,6+,7+/m0/s1
InChIKeyVGONTNSXDCQUGY-RRKCRQDMSA-N
Species of MetaboliteComponentSourceComments
Escherichia coli (ncbitaxon:562) - PubMed (21988831)
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Roles Classification
Biological Roles:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
2'-deoxyinosine (CHEBI:28997) has functional parent inosine (CHEBI:17596)
2'-deoxyinosine (CHEBI:28997) has role Escherichia coli metabolite (CHEBI:76971)
2'-deoxyinosine (CHEBI:28997) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
2'-deoxyinosine (CHEBI:28997) has role human metabolite (CHEBI:77746)
2'-deoxyinosine (CHEBI:28997) has role mouse metabolite (CHEBI:75771)
2'-deoxyinosine (CHEBI:28997) has role plant metabolite (CHEBI:76924)
2'-deoxyinosine (CHEBI:28997) is a purine 2'-deoxyribonucleoside (CHEBI:19254)
2'-deoxyinosine (CHEBI:28997) is a purines 2'-deoxy-D-ribonucleoside (CHEBI:142361)
IUPAC Names 
2'-deoxyinosine
9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-9H-purin-6-ol
Synonyms  Source
9-(2-deoxy-β-D-erythro-pentofuranosyl)-9H-purin-6-olIUPAC
DeoxyinosineKEGG COMPOUND
DeoxyinosineChemIDplus
UniProt Name  Source
2'-deoxyinosineUniProt
Manual XrefsDatabases
C05512KEGG COMPOUND
DB02380DrugBank
DEOXYINOSINEMetaCyc
HMDB0000071HMDB
YMDB00659YMDB
Registry NumbersSources
Reaxys:1011821Reaxys
CAS:890-38-0ChemIDplus
CAS:890-38-0KEGG COMPOUND
Citations