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CHEBI:66232 - TMC-135A

ChEBI IDCHEBI:66232
ChEBI NameTMC-135A
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 17, which is obtained from Streptomyces sp. TC-1190. It 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\CCc2cc3c(c(c2O)NC(=O)C1)SCC(=O)N3
InChIInChI=1S/C39H49N3O8S/c1-24-13-12-16-27-21-29-36(51-23-32(44)40-29)33(35(27)46)41-31(43)22-28(49-3)17-10-5-4-6-11-18-30(25(2)34(24)45)50-38(48)39(19-20-39)42-37(47)26-14-8-7-9-15-26/h4-6,10-11,13-14,17,21,25,28,30,34,45-46H,7-9,12,15-16,18-20,22-23H2,1-3H3,(H,40,44)(H,41,43)(H,42,47)/b5-4+,11-6+,17-10+,24-13-
InChIKeyDLJPEMIJOQUTRD-KLLBSFIHSA-N
Species of MetaboliteComponentSourceComments
Streptomyces sp. (ncbitaxon:1931) - PubMed (10994816) Strain: TC 1190
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)
TMC-135A (CHEBI:66232) has role antimicrobial agent (CHEBI:33281)
TMC-135A (CHEBI:66232) has role antineoplastic agent (CHEBI:35610)
TMC-135A (CHEBI:66232) has role metabolite (CHEBI:25212)
TMC-135A (CHEBI:66232) is a cyclopropanecarboxylate ester (CHEBI:50351)
TMC-135A (CHEBI:66232) is a ether (CHEBI:25698)
TMC-135A (CHEBI:66232) is a lactam (CHEBI:24995)
TMC-135A (CHEBI:66232) is a macrocycle (CHEBI:51026)
TMC-135A (CHEBI:66232) is a organonitrogen heterocyclic compound (CHEBI:38101)
TMC-135A (CHEBI:66232) is a organosulfur heterocyclic compound (CHEBI:38106)
TMC-135A (CHEBI:66232) is a phenols (CHEBI:33853)
TMC-135A (CHEBI:66232) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(10E,12E,14E,20Z)-19,26-dihydroxy-9-methoxy-18,20-dimethyl-2,7-dioxo-2,3,6,7,8,9,16,17,18,19,22,23-dodecahydro-1H-5,24-(metheno)[1,4]thiazino[2,3-c]azacyclotricosin-17-yl 1-[(cyclohex-1-en-1-ylcarbonyl)amino]cyclopropanecarboxylate
Synonym  Source
(4Z,10E,12E,14E)-6,28-Dihydroxy-16-methoxy-5,7-dimethyl-18,24-dioxo-22-thia-19,25-diazatricyclo[18.7.1.021,26]octacosa-1(28),4,10,12,14,20,26-heptaen-8-yl 1-[(1-cyclohexen-1-ylcarbonyl)amino]cyclopropanecarboxylateIUPAC
Registry NumbersSources
Reaxys:8670557Reaxys
Citations