CHEBI:9215 - spectinomycin

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ChEBI Name spectinomycin
ChEBI ID CHEBI:9215
Definition An organic heterotricyclic 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 332.158
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
InChIKey UNFWWIHTNXNPBV-WXKVUWSESA-N
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 organic heterotricyclic compound (CHEBI:26979)
spectinomycin (CHEBI:9215) is a secondary amino compound (CHEBI:50995)
spectinomycin (CHEBI:9215) is conjugate base of spectinomycin(2+) (CHEBI:77315)
Incoming spectinomycin(2+) (CHEBI:77315) is conjugate acid of spectinomycin (CHEBI:9215)
IUPAC Name
(2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)decahydro-4H-pyrano[2,3-b][1,4]benzodioxin-4-one
INNs Sources
espectinomicina DrugBank
spectinomycin KEGG DRUG
spectinomycine DrugBank
spectinomycinum DrugBank
Synonym Source
Antibiotic 2233wp ChemIDplus
Manual Xrefs Databases
2468 DrugCentral
C02078 KEGG COMPOUND
D08526 KEGG DRUG
DB00919 DrugBank
HMDB0015055 HMDB
LSM-5298 LINCS
SCM PDBeChem
Spectinomycin Wikipedia
US4203903 Patent
WO2005041984 Patent
View more database links
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
Last Modified
22 February 2017