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CHEBI:9215 - spectinomycin

Default Structure
ChEBI IDCHEBI:9215
ChEBI Namespectinomycin
Stars
DefinitionA 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.
Secondary ChEBI IDCHEBI:45551
Last Modified10 March 2020
DownloadsMolfile
FormulaC14H24N2O7
Net Charge0
Average Mass332.353
Monoisotopic Mass332.15835
SMILES[H][C@]12O[C@@H]3[C@@H](O)[C@H](NC)[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/t5-,7-,8+,9+,10+,11-,12-,13+,14+/m1/s1
InChIKeyUNFWWIHTNXNPBV-WXKVUWSESA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
antibacterial drug  A drug used to treat or prevent bacterial infections.
Application:
antibacterial drug  A drug used to treat or prevent bacterial infections.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
spectinomycin(1+) (CHEBI:146260) is conjugate acid of spectinomycin (CHEBI:9215)
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  Source
espectinomicinaDrugBank
spectinomycinKEGG DRUG
spectinomycineDrugBank
spectinomycinumDrugBank
Synonym  Source
Antibiotic 2233wpChemIDplus
Manual XrefsDatabases
2468DrugCentral
C02078KEGG COMPOUND
D08526KEGG DRUG
DB00919DrugBank
HMDB0015055HMDB
LSM-5298LINCS
SCMPDBeChem
SpectinomycinWikipedia
US4203903Patent
WO2005041984Patent
Registry NumbersSources
Reaxys:2171701Reaxys
CAS:1695-77-8ChemIDplus
CAS:1695-77-8KEGG COMPOUND
Citations