N-nonyldeoxynojirimycin

CHEBI:76399 ·resolve ·ANTIVIRAL ·EXACT SEEDED

A hydroxypiperidine that is deoxynojirimycin (duvoglustat) in which the amino hydrogen is replaced by a nonyl group. — 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:48590 CHEBI:48590
CHEBI:50996 CHEBI:50996

Chemical structure

Computed structure properties
Molecular formula	C15H31NO4
Charge	0
Average mass	289.416 Da
Monoisotopic mass	289.22531 Da
Source	ChEBI
InChIKey	FTSCEGKYKXESFF-LXTVHRRPSA-N

SMILES

CCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO

InChI

InChI=1S/C15H31NO4/c1-2-3-4-5-6-7-8-9-16-10-13(18)15(20)14(19)12(16)11-17/h12-15,17-20H,2-11H2,1H3/t12-,13+,14-,15-/m1/s1

Also called

(2R,3R,4R,5S)-2-(hydroxymethyl)-1-nonylpiperidine-3,4,5-triol (EXACT_SYNONYM)— chebi
NN-DNJ (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:81117-35-3
patent:EP1171128
patent:EP1171129
patent:US2002115667
patent:US2002142985
patent:US2005075305
patent:US6683076
patent:US7348000
patent:WO0062779
patent:WO0062780
pdb-ccd:NND
reaxys:6859812

Activity roles

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

CHEBI:22587 CHEBI:22587

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:76399`	N-nonyldeoxynojirimycin	`antibioticmech:chebi-7da3ab2355`	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.