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CHEBI:66232 - TMC-135A

Default Structure
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:
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-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