CHEBI:9215 - spectinomycin

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ChEBI Name spectinomycin
Definition A pyranobenzodioxin and antibiotic that is active against gram-negative bacteria and used (as its dihydrochloride pentahydrate) to treat gonorrhea. It is produced by the bacterium Streptomyces spectabilis.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:45551
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Formula C14H24N2O7
Net Charge 0
Average Mass 332.34960
Monoisotopic Mass 332.15835
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/t5-,7-,8+,9+,10+,11-,12-,13+,14+/m1/s1
SMILES CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@]3(O)[C@@H](O[C@H](C)CC3=O)O[C@@H]2[C@H]1O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
antibacterial drug
A drug used to treat or prevent bacterial infections.
Application(s): antibacterial drug
A drug used to treat or prevent bacterial infections.
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ChEBI Ontology
Outgoing spectinomycin (CHEBI:9215) has role antibacterial drug (CHEBI:36047)
spectinomycin (CHEBI:9215) has role antimicrobial agent (CHEBI:33281)
spectinomycin (CHEBI:9215) has role bacterial metabolite (CHEBI:76969)
spectinomycin (CHEBI:9215) is a cyclic acetal (CHEBI:59770)
spectinomycin (CHEBI:9215) is a cyclic hemiketal (CHEBI:59780)
spectinomycin (CHEBI:9215) is a cyclic ketone (CHEBI:3992)
spectinomycin (CHEBI:9215) is a pyranobenzodioxin (CHEBI:146295)
spectinomycin (CHEBI:9215) is a secondary alcohol (CHEBI:35681)
spectinomycin (CHEBI:9215) is a secondary amino compound (CHEBI:50995)
spectinomycin (CHEBI:9215) is conjugate base of spectinomycin(1+) (CHEBI:146260)
spectinomycin (CHEBI:9215) is conjugate base of spectinomycin(2+) (CHEBI:77315)
Incoming spectinomycin(1+) (CHEBI:146260) is conjugate acid of spectinomycin (CHEBI:9215)
spectinomycin(2+) (CHEBI:77315) is conjugate acid of spectinomycin (CHEBI:9215)
INNs Sources
espectinomicina DrugBank
spectinomycin KEGG DRUG
spectinomycine DrugBank
spectinomycinum DrugBank
Synonym Source
Antibiotic 2233wp ChemIDplus
Manual Xrefs Databases
2468 DrugCentral
DB00919 DrugBank
HMDB0015055 HMDB
Spectinomycin Wikipedia
US4203903 Patent
WO2005041984 Patent
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Registry Numbers Types Sources
1695-77-8 CAS Registry Number ChemIDplus
2171701 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
23183436 PubMed citation Europe PMC
23847609 PubMed citation Europe PMC
24020122 PubMed citation Europe PMC
24402501 PubMed citation Europe PMC
24503209 PubMed citation Europe PMC
30033166 PubMed citation Europe PMC
32116136 PubMed citation Europe PMC
Last Modified
10 March 2020