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CHEBI:77315 - spectinomycin(2+)

Default Structure
ChEBI IDCHEBI:77315
ChEBI Namespectinomycin(2+)
Stars
DefinitionAn organic cation obtained by protonation of the secondary amino groups of spectinomycin.
Last Modified13 October 2014
SubmitterSteve
DownloadsMolfile
FormulaC14H26N2O7
Net Charge+2
Average Mass334.369
Monoisotopic Mass334.17290
SMILES[H][C@]12O[C@@H]3[C@@H](O)[C@H]([NH2+]C)[C@H](O)[C@H]([NH2+]C)[C@H]3O[C@@]1(O)C(=O)C[C@@H](C)O2
InChIInChI=1S/C14H24N2O7/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14/h5,7-13,15-16,18-20H,4H2,1-3H3/p+2/t5-,7-,8+,9+,10+,11-,12-,13+,14+/m1/s1
InChIKeyUNFWWIHTNXNPBV-WXKVUWSESA-P
ChEBI Ontology
Outgoing Relation(s)
spectinomycin(2+) (CHEBI:77315) is a ammonium ion derivative (CHEBI:35274)
spectinomycin(2+) (CHEBI:77315) is a organic cation (CHEBI:25697)
spectinomycin(2+) (CHEBI:77315) is conjugate acid of spectinomycin (CHEBI:9215)
spectinomycin(2+) (CHEBI:77315) is conjugate acid of spectinomycin(1+) (CHEBI:146260)
Incoming Relation(s)
spectinomycin dihydrochloride (CHEBI:9216) has part spectinomycin(2+) (CHEBI:77315)
spectinomycin hydrochloride hydrate (CHEBI:9217) has part spectinomycin(2+) (CHEBI:77315)
spectinomycin (CHEBI:9215) is conjugate base of spectinomycin(2+) (CHEBI:77315)
spectinomycin(1+) (CHEBI:146260) is conjugate base of spectinomycin(2+) (CHEBI:77315)
IUPAC Name 
(2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-4a,7,9-trihydroxy-N,N',2-trimethyl-4-oxodecahydro-2H-pyrano[2,3-b][1,4]benzodioxine-6,8-diaminium
Synonym  Source
spectinomycin dicationChEBI