CHEBI:66237 - TMC-1D

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ChEBI Name TMC-1D
ChEBI ID CHEBI:66237
Definition A polyene antibiotic that is TMC-1A in which the 2,4-dimethyloct-2-enoyl group has been replaced by an (E)-4,6-dimethyldec-2-enoyl group. TMC-1D is an antitumour antibiotic isolated from Streptomyces sp. A-230.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C30H40N2O7
Net Charge 0
Average Mass 540.64780
Monoisotopic Mass 540.28355
InChI InChI=1S/C30H40N2O7/c1-4-5-10-20(2)17-21(3)12-15-28(38)31-22-19-30(39,26(36)18-25(22)35)16-9-7-6-8-11-27(37)32-29-23(33)13-14-24(29)34/h6-9,11-12,15-16,19-21,26,33,36,39H,4-5,10,13-14,17-18H2,1-3H3,(H,31,38)(H,32,37)/b7-6+,11-8+,15-12+,16-9+/t20?,21?,26-,30+/m1/s1
InChIKey VAHXVYDDBKCOFD-NGQXCVFISA-N
SMILES CCCCC(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-1D (CHEBI:66237) has role antineoplastic agent (CHEBI:35610)
TMC-1D (CHEBI:66237) has role bacterial metabolite (CHEBI:76969)
TMC-1D (CHEBI:66237) is a cyclic ketone (CHEBI:3992)
TMC-1D (CHEBI:66237) is a enamide (CHEBI:51751)
TMC-1D (CHEBI:66237) is a enol (CHEBI:33823)
TMC-1D (CHEBI:66237) is a enone (CHEBI:51689)
TMC-1D (CHEBI:66237) is a polyene antibiotic (CHEBI:26177)
TMC-1D (CHEBI:66237) is a secondary alcohol (CHEBI:35681)
TMC-1D (CHEBI:66237) is a secondary carboxamide (CHEBI:140325)
TMC-1D (CHEBI:66237) is a tertiary alcohol (CHEBI:26878)
IUPAC Name
(2E)-N-[(3S,4R)-3,4-dihydroxy-3-[(1E,3E,5E)-7-[(2-hydroxy-5-oxocyclopenten-1-yl)amino]-7-oxohepta-1,3,5-trienyl]-6-oxocyclohexen-1-yl]-4,6-dimethyldec-2-enamide
Registry Number Type Source
8178776 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
9031666 PubMed citation Europe PMC
Last Modified
07 March 2018