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CHEBI:65823 - EI-1511-5

ChEBI IDCHEBI:65823
ChEBI NameEI-1511-5
Stars
DefinitionAn epoxide isolated from Streptomyces sp. E-1511. An inhibitor of interleukin-1β converting enzyme (ICE), it acts as an anti-inflammatory agent and an antibiotic.
Last Modified1 May 2014
DownloadsMolfile
FormulaC29H32N2O7
Net Charge0
Average Mass520.582
Monoisotopic Mass520.22095
SMILES[H][C@@]12O[C@]1([H])C(=O)C(NC(=O)/C=C/C=C/C=C/C(C)CC)=C[C@@]2(O)/C=C/C=C/C=C/C(=O)NC1=C(O)CCC1=O
InChIInChI=1S/C29H32N2O7/c1-3-19(2)12-8-4-5-9-13-23(34)30-20-18-29(37,28-27(38-28)26(20)36)17-11-7-6-10-14-24(35)31-25-21(32)15-16-22(25)33/h4-14,17-19,27-28,32,37H,3,15-16H2,1-2H3,(H,30,34)(H,31,35)/b5-4+,7-6+,12-8+,13-9+,14-10+,17-11+/t19?,27-,28-,29+/m1/s1
InChIKeyOTILGUINRVYYKM-BSZZVILASA-N
Species of MetaboliteComponentSourceComments
Streptomyces sp. (ncbitaxon:1931) - PubMed (8982334) Strain: E 1511
Roles Classification
Biological Roles:
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
EC 3.4.22.36 (caspase-1) inhibitor  Any EC 3.4.22.* (cysteine endopeptidase) inhibitor that interferes with the activity of caspase-1 (EC 3.4.22.36).
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
Application:
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
ChEBI Ontology
Outgoing Relation(s)
EI-1511-5 (CHEBI:65823) has role anti-inflammatory agent (CHEBI:67079)
EI-1511-5 (CHEBI:65823) has role antimicrobial agent (CHEBI:33281)
EI-1511-5 (CHEBI:65823) has role bacterial metabolite (CHEBI:76969)
EI-1511-5 (CHEBI:65823) has role EC 3.4.22.36 (caspase-1) inhibitor (CHEBI:76795)
EI-1511-5 (CHEBI:65823) is a cyclic ketone (CHEBI:3992)
EI-1511-5 (CHEBI:65823) is a enol (CHEBI:33823)
EI-1511-5 (CHEBI:65823) is a epoxide (CHEBI:32955)
EI-1511-5 (CHEBI:65823) is a monocarboxylic acid amide (CHEBI:29347)
EI-1511-5 (CHEBI:65823) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(2E,4E,6E)-N-[(1S,5S,6R)-5-hydroxy-5-{(1E,3E,5E)-7-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)amino]-7-oxohepta-1,3,5-trien-1-yl}-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-8-methyldeca-2,4,6-trienamide
Registry NumbersSources
Reaxys:7630198Reaxys
Citations