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CHEBI:68264 - platensimycin A5 methyl ester

ChEBI IDCHEBI:68264
ChEBI Nameplatensimycin A5 methyl ester
Stars
DefinitionA polycyclic cage compound that is the methyl ester derivative of the dihydroxy substituted platensimycin. It is isolated from Streptomyces platensis.
Last Modified6 March 2014
DownloadsMolfile
FormulaC25H31NO8
Net Charge0
Average Mass473.522
Monoisotopic Mass473.20497
SMILESCOC(=O)c1ccc(O)c(NC(=O)CC[C@]2(C)C(=O)C=CC34CC(CCC32)C(O)(CO)C4)c1O
InChIInChI=1S/C25H31NO8/c1-23(9-8-19(30)26-20-16(28)5-4-15(21(20)31)22(32)34-2)17-6-3-14-11-24(17,10-7-18(23)29)12-25(14,33)13-27/h4-5,7,10,14,17,27-28,31,33H,3,6,8-9,11-13H2,1-2H3,(H,26,30)/t14?,17?,23-,24?,25?/m0/s1
InChIKeyLNVBATHWLFVZRW-HURMGZDQSA-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 A5 methyl ester (CHEBI:68264) has functional parent platensimycin (CHEBI:68236)
platensimycin A5 methyl ester (CHEBI:68264) has role bacterial metabolite (CHEBI:76969)
platensimycin A5 methyl ester (CHEBI:68264) is a aromatic amide (CHEBI:62733)
platensimycin A5 methyl ester (CHEBI:68264) is a benzoate ester (CHEBI:36054)
platensimycin A5 methyl ester (CHEBI:68264) is a cyclic ether (CHEBI:37407)
platensimycin A5 methyl ester (CHEBI:68264) is a cyclic ketone (CHEBI:3992)
platensimycin A5 methyl ester (CHEBI:68264) is a diol (CHEBI:23824)
platensimycin A5 methyl ester (CHEBI:68264) is a monocarboxylic acid amide (CHEBI:29347)
platensimycin A5 methyl ester (CHEBI:68264) is a polycyclic cage (CHEBI:33640)
IUPAC Name 
methyl 2,4-dihydroxy-3-({3-[(1S)-6-hydroxy-6-(hydroxymethyl)-1-methyl-2-oxo-1,2,5,6,7,8,9,9a-octahydro-4a,7-methanobenzo[7]annulen-1-yl]propanoyl}amino)benzoate
Registry NumbersSources
Reaxys:21394575Reaxys
Citations