oxetanocin A

CHEBI:86012 ·resolve ·ANTIBACTERIAL ·EXACT SEEDED

A 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. — ChEBI

Machine-generated and unreviewed. Identity, structure and cross-references come straight from ChEBI's and CARD's own data; no curator has signed off on this record yet.

Classification

Strictly broader compounds or drug classes this molecule belongs to.

Label unavailable CHEBI:15734
Label unavailable CHEBI:23824
Label unavailable CHEBI:38784
Label unavailable CHEBI:60783

Chemical structure

Computed structure properties
Molecular formula	C10H13N5O3
Charge	0
Average mass	251.246 Da
Monoisotopic mass	251.10184 Da
Source	ChEBI
InChIKey	LMJVXGOFWKVXAW-OXOINMOOSA-N

SMILES

[H][C@]1(CO)O[C@@]([H])(n2cnc3c(N)ncnc32)[C@@H]1CO

InChI

InChI=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

Also called

[(2S,3R,4R)-4-(6-amino-9H-purin-9-yl)oxetane-2,3-diyl]dimethanol (EXACT_SYNONYM)— chebi
(−)-oxetanocin (EXACT_SYNONYM)— chebi
(−)-oxetanocin A (EXACT_SYNONYM)— chebi
9-((2'R,3'R,4'S)-3',4'-bis(hydroxymethyl)-2'-oxetanyl)adenine (EXACT_SYNONYM)— chebi
9-[(2R,3R,4S)-3,4-bis(hydroxymethyl)-2-oxetanyl]adenine (EXACT_SYNONYM)— chebi
NK 84-0218 (EXACT_SYNONYM)— chebi
oxetanocin (EXACT_SYNONYM)— chebi

Cross-references

Identifiers for this same structure in other resources. An accession that lands on two different structures in this corpus is withheld from both rather than shown here, since it names at most one of them.

cas:103913-16-2
reaxys:4297990

Patents and articles

Documents about this compound. A patent covers a class and an article covers a topic; neither identifies a structure.

patent:EP0290817

Activity roles

Every antimicrobial role a source asserts for this compound — the unreduced evidence behind its antimicrobial_class.

antibacterial agent CHEBI:33282
anti-HIV agent CHEBI:64946

Source concepts

Every upstream concept that resolved to this record. The merge is the product: this is what shows ChEBI and CARD are describing the same structure.

Upstream concepts merged into this record
Source	Native ID	Label	Minted CURIE	Version
CHEBI	`CHEBI:86012`	oxetanocin A	`antibioticmech:chebi-ef6b6fdc50`	2026-08-30

Curation history

SEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Seeded from data/raw/ inventories (CHEBI)
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
RESEEDED_FROM_SOURCES 2026-09-10 · seed_from_sources
Re-seeded from updated data/raw/ inventories

Provenance

Seeded by scripts/seed_from_sources.py from the committed inventories in data/raw/. View the record (YAML).

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