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.

CHEBI:15734 CHEBI:15734
CHEBI:23824 CHEBI:23824
CHEBI:38784 CHEBI:38784
CHEBI:60783 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

Equivalent identifiers for this same structure in other resources.

cas:103913-16-2
patent:EP0290817
reaxys:4297990

Activity roles

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

CHEBI:33282 CHEBI:33282
CHEBI:64946 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

Provenance

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