CHEBI:66235 - TMC-1B

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ChEBI Name TMC-1B
ChEBI ID CHEBI:66235
Definition A polyene antibiotic that is TMC-1A in which the 2,4-dimethyloct-2-enoyl group has been replaced by a (2E)-2,6-dimethyloct-2-enoyl group. TMC-1B is an antitumour antibiotic isolated from Streptomyces sp. A-230.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB5855401, ZINC000005854633
Download Molfile XML SDF
Formula C28H36N2O7
Net Charge 0
Average Mass 512.59460
Monoisotopic Mass 512.25225
InChI InChI=1S/C28H36N2O7/c1-4-18(2)10-9-11-19(3)27(36)29-20-17-28(37,24(34)16-23(20)33)15-8-6-5-7-12-25(35)30-26-21(31)13-14-22(26)32/h5-8,11-12,15,17-18,24,31,34,37H,4,9-10,13-14,16H2,1-3H3,(H,29,36)(H,30,35)/b6-5+,12-7+,15-8+,19-11+/t18?,24-,28+/m1/s1
InChIKey LTZQMADYCMVTKI-UVJPKDHBSA-N
SMILES CCC(C)CC\C=C(/C)C(=O)NC1=C[C@@](O)(\C=C\C=C\C=C\C(=O)NC2=C(O)CCC2=O)[C@H](O)CC1=O
Metabolite of Species Details
Streptomyces sp. (NCBI:txid1931) of strain A 230 See: PubMed
Roles Classification
Biological Role(s): bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
(via polyene antibiotic )
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing TMC-1B (CHEBI:66235) has role antineoplastic agent (CHEBI:35610)
TMC-1B (CHEBI:66235) has role bacterial metabolite (CHEBI:76969)
TMC-1B (CHEBI:66235) is a cyclic ketone (CHEBI:3992)
TMC-1B (CHEBI:66235) is a enamide (CHEBI:51751)
TMC-1B (CHEBI:66235) is a enol (CHEBI:33823)
TMC-1B (CHEBI:66235) is a enone (CHEBI:51689)
TMC-1B (CHEBI:66235) is a polyene antibiotic (CHEBI:26177)
TMC-1B (CHEBI:66235) is a secondary alcohol (CHEBI:35681)
TMC-1B (CHEBI:66235) is a secondary carboxamide (CHEBI:140325)
TMC-1B (CHEBI:66235) is a tertiary alcohol (CHEBI:26878)
IUPAC Name
(2E)-N-[(3S,4R)-3,4-dihydroxy-3-{(1E,3E,5E)-7-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)amino]-7-oxohepta-1,3,5-trien-1-yl}-6-oxocyclohex-1-en-1-yl]-2,6-dimethyloct-2-enamide
Registry Number Type Source
8178597 Reaxys Registry Number Reaxys
Citation Type Source
9031666 PubMed citation Europe PMC
Last Modified
07 March 2018