CHEBI:77315 - spectinomycin(2+)

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ChEBI Name spectinomycin(2+)
ChEBI ID CHEBI:77315
Definition An organic cation obtained by protonation of the secondary amino groups of spectinomycin.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C14H26N2O7
Net Charge +2
Average Mass 334.36430
Monoisotopic Mass 334.17290
InChI InChI=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
InChIKey UNFWWIHTNXNPBV-WXKVUWSESA-P
SMILES C[NH2+][C@@H]1[C@H](O)[C@H]([NH2+]C)[C@H]2O[C@]3(O)[C@@H](O[C@H](C)CC3=O)O[C@@H]2[C@H]1O
ChEBI Ontology
Outgoing 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 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 dication ChEBI
Last Modified
13 October 2014