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CHEBI:66262 - trierixin

Default Structure
ChEBI IDCHEBI:66262
ChEBI Nametrierixin
Stars
DefinitionA 21-membered macrocycle isolated from the fermentation broth of Streptomyces sp.AC654. It exhibits antineoplastic activity.
Last Modified5 November 2013
DownloadsMolfile
FormulaC37H52N2O8S
Net Charge0
Average Mass684.896
Monoisotopic Mass684.34444
SMILESCOC1/C=C/C=C/C=C/CC(OC(=O)C(C)NC(=O)C2CCCCC2)C(C)C(O)/C(C)=C\CCc2cc(O)c(SC)c(c2O)NC(=O)C1
InChIInChI=1S/C37H52N2O8S/c1-23-15-14-18-27-21-29(40)35(48-5)32(34(27)43)39-31(41)22-28(46-4)19-12-7-6-8-13-20-30(24(2)33(23)42)47-37(45)25(3)38-36(44)26-16-10-9-11-17-26/h6-8,12-13,15,19,21,24-26,28,30,33,40,42-43H,9-11,14,16-18,20,22H2,1-5H3,(H,38,44)(H,39,41)/b7-6+,13-8+,19-12+,23-15-
InChIKeyJYAJEGBJMODZBK-GTRHLNJYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces sp. (ncbitaxon:1931) - PubMed (17917237) Strain: AC 654
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
trierixin (CHEBI:66262) has role antimicrobial agent (CHEBI:33281)
trierixin (CHEBI:66262) has role antineoplastic agent (CHEBI:35610)
trierixin (CHEBI:66262) has role metabolite (CHEBI:25212)
trierixin (CHEBI:66262) is a aryl sulfide (CHEBI:35683)
trierixin (CHEBI:66262) is a carboxylic ester (CHEBI:33308)
trierixin (CHEBI:66262) is a ether (CHEBI:25698)
trierixin (CHEBI:66262) is a hydroquinones (CHEBI:24646)
trierixin (CHEBI:66262) is a lactam (CHEBI:24995)
trierixin (CHEBI:66262) is a macrocycle (CHEBI:51026)
trierixin (CHEBI:66262) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(6E,8E,10E,16Z)-15,22,24-trihydroxy-5-methoxy-14,16-dimethyl-23-(methylsulfanyl)-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(24),6,8,10,16,20,22-heptaen-13-yl N-(cyclohexylcarbonyl)alaninate
Citations