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CHEBI:68237 - platensimycin methyl ester

ChEBI IDCHEBI:68237
ChEBI Nameplatensimycin methyl ester
Stars
DefinitionA polycyclic cage compound that is methyl ester derivative of platensimycin. It is isolated from Streptomyces platensis.
Last Modified6 March 2014
DownloadsMolfile
FormulaC25H29NO7
Net Charge0
Average Mass455.507
Monoisotopic Mass455.19440
SMILES[H][C@]12C[C@@H]3O[C@@]1(C)C[C@]1(C=CC(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)OC)c4O)[C@]31[H])C2
InChIInChI=1S/C25H29NO7/c1-23(8-7-18(29)26-19-15(27)5-4-14(20(19)30)22(31)32-3)17(28)6-9-25-11-13-10-16(21(23)25)33-24(13,2)12-25/h4-6,9,13,16,21,27,30H,7-8,10-12H2,1-3H3,(H,26,29)/t13-,16+,21+,23-,24+,25+/m1/s1
InChIKeyBLKSEVPCJYYCLH-USZGVGCCSA-N
Species of MetaboliteComponentSourceComments
Streptomyces platensis (ncbitaxon:58346) - PubMed (21214253) Strain: MA7327
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
platensimycin methyl ester (CHEBI:68237) has functional parent platensimycin (CHEBI:68236)
platensimycin methyl ester (CHEBI:68237) has role bacterial metabolite (CHEBI:76969)
platensimycin methyl ester (CHEBI:68237) is a aromatic amide (CHEBI:62733)
platensimycin methyl ester (CHEBI:68237) is a benzoate ester (CHEBI:36054)
platensimycin methyl ester (CHEBI:68237) is a cyclic ether (CHEBI:37407)
platensimycin methyl ester (CHEBI:68237) is a cyclic ketone (CHEBI:3992)
platensimycin methyl ester (CHEBI:68237) is a monocarboxylic acid amide (CHEBI:29347)
platensimycin methyl ester (CHEBI:68237) is a polycyclic cage (CHEBI:33640)
IUPAC Name 
methyl 3-({3-[(1S,4aS,6S,7S,9S,9aR)-1,6-dimethyl-2-oxo-1,2,5,6,7,8,9,9a-octahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanoyl}amino)-2,4-dihydroxybenzoate
Registry NumbersSources
Reaxys:19701471Reaxys
Citations