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CHEBI:88274 - aranotin

ChEBI IDCHEBI:88274
ChEBI Namearanotin
Stars
DefinitionAn organic heterohexacyclic compound with antiviral and antibiotic properties that is isolated from Amauroascus aureus.
Last Modified6 June 2016
Submittermwilliams
DownloadsMolfile
FormulaC20H18N2O7S2
Net Charge0
Average Mass462.505
Monoisotopic Mass462.05554
SMILES[H][C@]12C(=COC=C[C@@H]1OC(C)=O)C[C@@]13SS[C@]4(CC5=COC=C[C@H](O)[C@@]5([H])N4C1=O)C(=O)N23
InChIInChI=1S/C20H18N2O7S2/c1-10(23)29-14-3-5-28-9-12-7-20-17(25)21-15-11(8-27-4-2-13(15)24)6-19(21,30-31-20)18(26)22(20)16(12)14/h2-5,8-9,13-16,24H,6-7H2,1H3/t13-,14-,15-,16-,19+,20+/m0/s1
InChIKeyHXWOWBFXYUFFKS-PSJNWGMYSA-N
Species of MetaboliteComponentSourceComments
Bacillus methanolicus MGA3 (ncbitaxon:796606)
- MetaboLights (MTBLS228)
- PubMed (26366644)
Amauroascus aureus (ncbitaxon:113411) - PubMed (5735362)
Roles Classification
Biological Roles:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
antiviral agent  A substance that destroys or inhibits replication of viruses.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
ChEBI Ontology
Outgoing Relation(s)
aranotin (CHEBI:88274) has role antiviral agent (CHEBI:22587)
aranotin (CHEBI:88274) has role fungal metabolite (CHEBI:76946)
aranotin (CHEBI:88274) is a acetate ester (CHEBI:47622)
aranotin (CHEBI:88274) is a organic disulfide (CHEBI:35489)
aranotin (CHEBI:88274) is a organic heterohexacyclic compound (CHEBI:51914)
aranotin (CHEBI:88274) is a organonitrogen heterocyclic antibiotic (CHEBI:25558)
aranotin (CHEBI:88274) is a organooxygen heterocyclic antibiotic (CHEBI:25807)
aranotin (CHEBI:88274) is a organosulfur heterocyclic compound (CHEBI:38106)
aranotin (CHEBI:88274) is a oxacycle (CHEBI:38104)
aranotin (CHEBI:88274) is a secondary alcohol (CHEBI:35681)
aranotin (CHEBI:88274) is a δ-lactam (CHEBI:77727)
IUPAC Name 
(5S,5aS,7aR,13S,13aS,15aR)-13-hydroxy-7,15-dioxo-5,5a,13,13a-tetrahydro-7H,8H,15H,16H-7a,15a-epidithiobisoxepino[3',4':4,5]pyrrolo[1,2-a:1',2'-d]pyrazin-5-yl acetate
INNs  Source
aranotinChemIDplus
aranotinaChemIDplus
aranotinumChemIDplus
aranotineChemIDplus
Synonyms  Source
Lilly 53185ChemIDplus
AriotinChemIDplus
L 53185ChemIDplus
Antibiotic A 21101-IIIKNApSAcK
Manual XrefsDatabases
D02974KEGG DRUG
C00025534KNApSAcK
Registry NumbersSources
Beilstein:3042102Beilstein
Reaxys:5421449Reaxys
CAS:19885-51-9ChemIDplus
CAS:19885-51-9KEGG DRUG
Citations