EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:75319 - 3,3'-neotrehalosadiamine

Default Structure
ChEBI IDCHEBI:75319
ChEBI Name3,3'-neotrehalosadiamine
Stars
DefinitionAn amino disaccharide consisting of α- and β-D-kanosaminyl residues joined by a (1↔1)-linkage.
Last Modified22 August 2013
SubmitterSteve
DownloadsMolfile
FormulaC12H24N2O9
Net Charge0
Average Mass340.329
Monoisotopic Mass340.14818
SMILESN[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
InChIInChI=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
InChIKeyZPEFXARQZVAHGO-DCSYEGIMSA-N
Roles Classification
Biological Roles:
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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)
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-trehaloseChemIDplus
β-D-Glc3N-(1↔1)-α-D-Gl3NChEBI
β-D-kanosaminyl-(1↔1)-α-D-kanosamineChEBI
Registry NumbersSources
Reaxys:23730595Reaxys
CAS:104196-14-7ChemIDplus
Citations