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CHEBI:66262 - trierixin

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:
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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