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CHEBI:66237 - TMC-1D

ChEBI IDCHEBI:66237
ChEBI NameTMC-1D
Stars
DefinitionA polyene antibiotic that is TMC-1A in which the 2,4-dimethyloct-2-enoyl group has been replaced by an (E)-4,6-dimethyldec-2-enoyl group.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.
Last Modified7 March 2018
DownloadsMolfile
FormulaC30H40N2O7
Net Charge0
Average Mass540.657
Monoisotopic Mass540.28355
SMILESCCCCC(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
InChIInChI=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
InChIKeyVAHXVYDDBKCOFD-NGQXCVFISA-N
Species of MetaboliteComponentSourceComments
Streptomyces sp. (ncbitaxon:1931) - PubMed (9031666) Strain: A 230
Roles Classification
Biological Roles:
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.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
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 NumbersSources
Reaxys:8178776Reaxys
Citations