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CHEBI:146260 - spectinomycin(1+)

Default Structure
ChEBI IDCHEBI:146260
ChEBI Namespectinomycin(1+)
Stars
DefinitionA secondary ammonium ion derived from spectinomycin by protonation of the secondary amino group located between the two alcoholic hydroxy groups.
Last Modified10 March 2020
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC14H25N2O7
Net Charge+1
Average Mass333.361
Monoisotopic Mass333.16563
SMILES[H][C@]12O[C@@H]3[C@@H](O)[C@H]([NH2+]C)[C@H](O)[C@H](NC)[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+1/t5-,7-,8+,9+,10+,11-,12-,13+,14+/m1/s1
InChIKeyUNFWWIHTNXNPBV-WXKVUWSESA-O
ChEBI Ontology
Outgoing Relation(s)
spectinomycin(1+) (CHEBI:146260) is a secondary ammonium ion (CHEBI:137419)
spectinomycin(1+) (CHEBI:146260) is conjugate acid of spectinomycin (CHEBI:9215)
spectinomycin(1+) (CHEBI:146260) is conjugate base of spectinomycin(2+) (CHEBI:77315)
Incoming Relation(s)
spectinomycin(2+) (CHEBI:77315) is conjugate acid of spectinomycin(1+) (CHEBI:146260)
spectinomycin (CHEBI:9215) is conjugate base of spectinomycin(1+) (CHEBI:146260)
UniProt Name  Source
spectinomycinUniProt