duvoglustat

CHEBI:44369 ·resolve ·ANTIVIRAL ·EXACT SEEDED

An optically active form of 2-(hydroxymethyl)piperidine-3,4,5-triol having 2R,3R,4R,5S-configuration. — 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:26147 CHEBI:26147
CHEBI:72490 CHEBI:72490

Chemical structure

Computed structure properties
Molecular formula	C6H13NO4
Charge	0
Average mass	163.173 Da
Monoisotopic mass	163.08446 Da
Source	ChEBI
InChIKey	LXBIFEVIBLOUGU-JGWLITMVSA-N

SMILES

OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O

InChI

InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1

Also called

(2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol (EXACT_SYNONYM)— chebi
(+)-1-Deoxynojirimycin (EXACT_SYNONYM)— chebi
1,5-deoxy-1,5-imino-D-mannitol (EXACT_SYNONYM)— chebi
1,5-dideoxy-1,5-imino-D-glucitol (EXACT_SYNONYM)— chebi
1-DEOXYNOJIRIMYCIN (EXACT_SYNONYM)— chebi
1-Deoxymannojirimycin (EXACT_SYNONYM)— chebi
1-Deoxynojirimycin (EXACT_SYNONYM)— chebi
5-amino-1,5-dideoxy-D-glucopyranose (EXACT_SYNONYM)— chebi
BAY-H-5595 (EXACT_SYNONYM)— chebi
D-1-deoxynojirimycin (EXACT_SYNONYM)— chebi
DNJ (EXACT_SYNONYM)— chebi
Moranolin (EXACT_SYNONYM)— chebi
Moranoline (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:19130-96-2
drugbank:DB03206
hmdb:HMDB0035359
kegg.compound:C16843
kegg.drug:D09605
knapsack:C00029420
metacyc.compound:1-DEOXYNOJIRIMYCIN
pdb-ccd:NOJ
reaxys:1524395
wikipedia.en:1-Deoxynojirimycin

Activity roles

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

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:44369`	duvoglustat	`antibioticmech:chebi-90bd0f8e5d`	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.