EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:65824 - EI-1625-2

ChEBI IDCHEBI:65824
ChEBI NameEI-1625-2
Stars
DefinitionAn epoxide isolated from Streptomyces sp. E-1625. An inhibitor of interleukin-1β converting enzyme (ICE), it acts as an anti-inflammatory agent and antibiotic.
Last Modified5 March 2014
DownloadsMolfile
FormulaC27H32N2O7
Net Charge0
Average Mass496.560
Monoisotopic Mass496.22095
SMILES[H][C@@]12O[C@]1([H])C(=O)C(NC(=O)/C=C/C(C)CCCC)=C[C@]2(O)/C=C/C=C/C=C/C(=O)NC1=C(O)CCC1=O
InChIInChI=1S/C27H32N2O7/c1-3-4-9-17(2)11-14-22(33)28-18-16-27(35,26-25(36-26)24(18)34)15-8-6-5-7-10-21(32)29-23-19(30)12-13-20(23)31/h5-8,10-11,14-17,25-26,30,35H,3-4,9,12-13H2,1-2H3,(H,28,33)(H,29,32)/b6-5+,10-7+,14-11+,15-8+/t17?,25-,26-,27-/m1/s1
InChIKeyLEERCZRUWSNMMK-GIWWSJOHSA-N
Species of MetaboliteComponentSourceComments
Streptomyces sp. (ncbitaxon:1931) - PubMed (8982334) Strain: E 1625
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-1625-2 (CHEBI:65824) has role anti-inflammatory agent (CHEBI:67079)
EI-1625-2 (CHEBI:65824) has role antimicrobial agent (CHEBI:33281)
EI-1625-2 (CHEBI:65824) has role bacterial metabolite (CHEBI:76969)
EI-1625-2 (CHEBI:65824) has role EC 3.4.22.36 (caspase-1) inhibitor (CHEBI:76795)
EI-1625-2 (CHEBI:65824) is a cyclic ketone (CHEBI:3992)
EI-1625-2 (CHEBI:65824) is a enol (CHEBI:33823)
EI-1625-2 (CHEBI:65824) is a epoxide (CHEBI:32955)
EI-1625-2 (CHEBI:65824) is a monocarboxylic acid amide (CHEBI:29347)
EI-1625-2 (CHEBI:65824) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(2E)-N-[(1S,5R,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]-4-methyloct-2-enamide
Registry NumbersSources
Reaxys:7630442Reaxys
Citations