3,3'-neotrehalosadiamine

CHEBI:75319 ·resolve ·ANTIMICROBIAL_UNSPECIFIED ·EXACT SEEDED

An amino disaccharide consisting of α- and β-D-kanosaminyl residues joined by a (1↔1)-linkage. — 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:22480 CHEBI:22480
CHEBI:63356 CHEBI:63356

Chemical structure

Computed structure properties
Molecular formula	C12H24N2O9
Charge	0
Average mass	340.329 Da
Monoisotopic mass	340.14818 Da
Source	ChEBI
InChIKey	ZPEFXARQZVAHGO-DCSYEGIMSA-N

SMILES

N[C@@H]1[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](N)[C@H]2O)O[C@H](CO)[C@H]1O

InChI

InChI=1S/C12H24N2O9/c13-5-7(17)3(1-15)21-11(9(5)19)23-12-10(20)6(14)8(18)4(2-16)22-12/h3-12,15-20H,1-2,13-14H2/t3-,4-,5+,6+,7-,8-,9-,10-,11-,12+/m1/s1

Also called

3-amino-3-deoxy-β-D-glucopyranosyl 3-amino-3-deoxy-α-D-glucopyranoside (EXACT_SYNONYM)— chebi
3,3'-Diamino-3,3'-dideoxy-alpha,beta-trehalose (EXACT_SYNONYM)— chebi
β-D-Glc3N-(1↔1)-α-D-Gl3N (EXACT_SYNONYM)— chebi
β-D-kanosaminyl-(1↔1)-α-D-kanosamine (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:104196-14-7
reaxys:23730595

Activity roles

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

CHEBI:33281 CHEBI:33281

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:75319`	3,3'-neotrehalosadiamine	`antibioticmech:chebi-b0e72c25ed`	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.