3,3'-neotrehalosadiamine (CHEBI:75319)

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CHEBI:75319 - 3,3'-neotrehalosadiamine

ChEBI ID	CHEBI:75319
ChEBI Name	3,3'-neotrehalosadiamine
Stars
Definition	An amino disaccharide consisting of α- and β-D-kanosaminyl residues joined by a (1↔1)-linkage.
Last Modified	22 August 2013
Submitter	Steve
Downloads	Molfile

Formula	C12H24N2O9
Net Charge	0
Average Mass	340.329
Monoisotopic Mass	340.14818
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
InChIKey	ZPEFXARQZVAHGO-DCSYEGIMSA-N

Roles Classification

Biological Roles:

metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.

ChEBI Ontology

Outgoing Relation(s)
	3,3'-neotrehalosadiamine (CHEBI:75319) has role antimicrobial agent (CHEBI:33281)
	3,3'-neotrehalosadiamine (CHEBI:75319) has role metabolite (CHEBI:25212)
	3,3'-neotrehalosadiamine (CHEBI:75319) is a amino disaccharide (CHEBI:22480)
	3,3'-neotrehalosadiamine (CHEBI:75319) is a glycosyl glycoside derivative (CHEBI:63356)
	3,3'-neotrehalosadiamine (CHEBI:75319) is conjugate base of 3,3'-neotrehalosadiamine(2+) (CHEBI:75053)
Incoming Relation(s)
Incoming Relation(s)	3,3'-neotrehalosadiamine(2+) (CHEBI:75053) is conjugate acid of 3,3'-neotrehalosadiamine (CHEBI:75319)

IUPAC Name
3-amino-3-deoxy-β-D-glucopyranosyl 3-amino-3-deoxy-α-D-glucopyranoside

Synonyms	Source
3,3'-Diamino-3,3'-dideoxy-alpha,beta-trehalose	ChemIDplus
β-D-Glc3N-(1↔1)-α-D-Gl3N	ChEBI
β-D-kanosaminyl-(1↔1)-α-D-kanosamine	ChEBI

Registry Numbers	Sources
Reaxys:23730595	Reaxys
CAS:104196-14-7	ChemIDplus

Citations