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CHEBI:86012 - oxetanocin A

ChEBI IDCHEBI:86012
ChEBI Nameoxetanocin A
Stars
DefinitionA nucleoside analogue found in Bacillus megaterium in which an adenine moiety is attached to position 2 of a of an oxetane ring which is substituted at positions 3 and 4 by hydroxymethyl groups.
Last Modified26 August 2024
SubmitterGareth Owen
DownloadsMolfile
FormulaC10H13N5O3
Net Charge0
Average Mass251.246
Monoisotopic Mass251.10184
SMILES[H][C@]1(CO)O[C@@]([H])(n2cnc3c(N)ncnc32)[C@@H]1CO
InChIInChI=1S/C10H13N5O3/c11-8-7-9(13-3-12-8)15(4-14-7)10-5(1-16)6(2-17)18-10/h3-6,10,16-17H,1-2H2,(H2,11,12,13)/t5-,6-,10-/m1/s1
InChIKeyLMJVXGOFWKVXAW-OXOINMOOSA-N
Species of MetaboliteComponentSourceComments
Bacillus megaterium (ncbitaxon:1404) - PubMed (3025147) Strain: NK84-0218
Roles Classification
Biological Roles:
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
anti-HIV agent  An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus.
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
oxetanocin A (CHEBI:86012) has functional parent adenine (CHEBI:16708)
oxetanocin A (CHEBI:86012) has role anti-HIV agent (CHEBI:64946)
oxetanocin A (CHEBI:86012) has role antibacterial agent (CHEBI:33282)
oxetanocin A (CHEBI:86012) has role bacterial metabolite (CHEBI:76969)
oxetanocin A (CHEBI:86012) is a diol (CHEBI:23824)
oxetanocin A (CHEBI:86012) is a nucleoside analogue (CHEBI:60783)
oxetanocin A (CHEBI:86012) is a oxetanes (CHEBI:38784)
oxetanocin A (CHEBI:86012) is a primary alcohol (CHEBI:15734)
Incoming Relation(s)
oxetanocin A 4-(dihydrogen phosphate) (CHEBI:86011) has functional parent oxetanocin A (CHEBI:86012)
IUPAC Name 
[(2S,3R,4R)-4-(6-amino-9H-purin-9-yl)oxetane-2,3-diyl]dimethanol
Synonyms  Source
oxetanocinChemIDplus
9-[(2R,3R,4S)-3,4-bis(hydroxymethyl)-2-oxetanyl]adenineChemIDplus
NK 84-0218ChemIDplus
(−)-oxetanocinChEBI
9-((2'R,3'R,4'S)-3',4'-bis(hydroxymethyl)-2'-oxetanyl)adenineChEBI
(−)-oxetanocin AChEBI
UniProt Name  Source
oxetanocin AUniProt
Manual XrefsDatabases
EP0290817Patent
Registry NumbersSources
Reaxys:4297990Reaxys
CAS:103913-16-2ChemIDplus
Citations