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 No supplier information found for this compound.
Download Molfile XML SDF
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