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CHEBI:66233 - TMC-135B

ChEBI IDCHEBI:66233
ChEBI NameTMC-135B
Stars
DefinitionAn organonitrogen heterocyclic compound that is a 21-membered macrocyclic lactam substituted by a ({1-[(cyclohex-1-en-1-ylcarbonyl)amino]cyclopropyl}carbonyl)oxy group at position 18. It is isolated from Streptomyces sp. TC-1190 and exhibits growth inhibitory effects on a series of human tumour cell lines.
Last Modified28 October 2016
DownloadsMolfile
FormulaC39H49N3O8S
Net Charge0
Average Mass719.901
Monoisotopic Mass719.32404
SMILESCOC1/C=C/C=C/C=C/CC(OC(=O)C2(NC(=O)C3=CCCCC3)CC2)C(C)C(O)/C(C)=C\CCc2c(O)c(cc3c2SCC(=O)N3)NC(=O)C1
InChIInChI=1S/C39H49N3O8S/c1-24-13-12-17-28-35(46)29(22-30-36(28)51-23-33(44)41-30)40-32(43)21-27(49-3)16-10-5-4-6-11-18-31(25(2)34(24)45)50-38(48)39(19-20-39)42-37(47)26-14-8-7-9-15-26/h4-6,10-11,13-14,16,22,25,27,31,34,45-46H,7-9,12,15,17-21,23H2,1-3H3,(H,40,43)(H,41,44)(H,42,47)/b5-4+,11-6+,16-10+,24-13-
InChIKeyYIMYDHUFVYSTEY-WUWQZELJSA-N
Species of MetaboliteComponentSourceComments
Streptomyces sp. (ncbitaxon:1931) - PubMed (10994816) Strain: TC 1190
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)
TMC-135B (CHEBI:66233) has role antimicrobial agent (CHEBI:33281)
TMC-135B (CHEBI:66233) has role antineoplastic agent (CHEBI:35610)
TMC-135B (CHEBI:66233) has role metabolite (CHEBI:25212)
TMC-135B (CHEBI:66233) is a cyclopropanecarboxylate ester (CHEBI:50351)
TMC-135B (CHEBI:66233) is a ether (CHEBI:25698)
TMC-135B (CHEBI:66233) is a lactam (CHEBI:24995)
TMC-135B (CHEBI:66233) is a macrocycle (CHEBI:51026)
TMC-135B (CHEBI:66233) is a organonitrogen heterocyclic compound (CHEBI:38101)
TMC-135B (CHEBI:66233) is a organosulfur heterocyclic compound (CHEBI:38106)
TMC-135B (CHEBI:66233) is a phenols (CHEBI:33853)
TMC-135B (CHEBI:66233) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(11E,13E,15E,21Z)-20,26-dihydroxy-10-methoxy-19,21-dimethyl-3,8-dioxo-3,4,7,8,9,10,17,18,19,20,23,24-dodecahydro-2H-25,6-(metheno)[1,4]thiazino[3,2-d]azacyclotricosin-18-yl 1-[(cyclohex-1-en-1-ylcarbonyl)amino]cyclopropanecarboxylate
Synonym  Source
(6E,8E,10E,16Z)-15,28-Dihydroxy-5-methoxy-14,16-dimethyl-3,24-dioxo-22-thia-2,25-diazatricyclo[18.7.1.021,26]octacosa-1(28),6,8,10,16,20,26-heptaen-13-yl 1-[(1-cyclohexen-1-ylcarbonyl)amino]cyclopropanecarboxylateIUPAC
Registry NumbersSources
Reaxys:8670452Reaxys
Citations