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CHEBI:75053 - 3,3'-neotrehalosadiamine(2+)

Default Structure
ChEBI IDCHEBI:75053
ChEBI Name3,3'-neotrehalosadiamine(2+)
Stars
DefinitionAn organic cation obtained by protonation of the two amino groups of 3,3'-neotrehalosadiamine.
Last Modified22 August 2013
SubmitterKAX
DownloadsMolfile
FormulaC12H26N2O9
Net Charge+2
Average Mass342.345
Monoisotopic Mass342.16273
SMILES[NH3+][C@@H]1[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H]([NH3+])[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/p+2/t3-,4-,5+,6+,7-,8-,9-,10-,11-,12+/m1/s1
InChIKeyZPEFXARQZVAHGO-DCSYEGIMSA-P
ChEBI Ontology
Outgoing Relation(s)
3,3'-neotrehalosadiamine(2+) (CHEBI:75053) is a ammonium ion derivative (CHEBI:35274)
3,3'-neotrehalosadiamine(2+) (CHEBI:75053) is a organic cation (CHEBI:25697)
3,3'-neotrehalosadiamine(2+) (CHEBI:75053) is conjugate acid of 3,3'-neotrehalosadiamine (CHEBI:75319)
Incoming Relation(s)
3,3'-neotrehalosadiamine (CHEBI:75319) is conjugate base of 3,3'-neotrehalosadiamine(2+) (CHEBI:75053)
IUPAC Name 
3-azaniumyl-3-deoxy-β-D-glucopyranosyl 3-azaniumyl-3-deoxy-α-D-glucopyranoside
Citations