CHEBI:66232 - TMC-135A

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ChEBI Name TMC-135A
ChEBI ID CHEBI:66232
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C39H49N3O8S
Net Charge 0
Average Mass 719.88700
Monoisotopic Mass 719.32404
InChI InChI=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-
InChIKey DLJPEMIJOQUTRD-KLLBSFIHSA-N
SMILES COC1CC(=O)Nc2c(O)c(CC\C=C(C)/C(O)C(C)C(C\C=C\C=C\C=C\1)OC(=O)C1(CC1)NC(=O)C1=CCCCC1)cc1NC(=O)CSc21
Metabolite of Species Details
Streptomyces sp. (NCBI:txid1931) of strain TC 1190 See: PubMed
Roles Classification
Biological Role(s): 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(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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]cyclopropanecarboxylate IUPAC
Registry Number Type Source
8670557 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
10994816 PubMed citation Europe PMC
Last Modified
28 October 2016