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CHEBI:68263 - platensimycin A4 methyl ester

ChEBI IDCHEBI:68263
ChEBI Nameplatensimycin A4 methyl ester
Stars
DefinitionA polycyclic cage compound isolated from Streptomyces platensis.
Last Modified6 March 2014
DownloadsMolfile
FormulaC25H29NO8
Net Charge0
Average Mass471.506
Monoisotopic Mass471.18932
SMILES[H][C@]12C[C@]34C=CC(=O)[C@@](C)(CCC(=O)Nc5c(O)ccc(C(=O)OC)c5O)[C@]3([H])[C@]([H])(C1)O[C@@]2(CO)C4
InChIInChI=1S/C25H29NO8/c1-23(7-6-18(30)26-19-15(28)4-3-14(20(19)31)22(32)33-2)17(29)5-8-24-10-13-9-16(21(23)24)34-25(13,11-24)12-27/h3-5,8,13,16,21,27-28,31H,6-7,9-12H2,1-2H3,(H,26,30)/t13-,16+,21+,23-,24+,25-/m1/s1
InChIKeyQDHJODLKDXVQTN-MCCMHAQWSA-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 A4 methyl ester (CHEBI:68263) has functional parent platensimycin (CHEBI:68236)
platensimycin A4 methyl ester (CHEBI:68263) has role bacterial metabolite (CHEBI:76969)
platensimycin A4 methyl ester (CHEBI:68263) is a aromatic amide (CHEBI:62733)
platensimycin A4 methyl ester (CHEBI:68263) is a benzoate ester (CHEBI:36054)
platensimycin A4 methyl ester (CHEBI:68263) is a cyclic ether (CHEBI:37407)
platensimycin A4 methyl ester (CHEBI:68263) is a cyclic ketone (CHEBI:3992)
platensimycin A4 methyl ester (CHEBI:68263) is a monocarboxylic acid amide (CHEBI:29347)
platensimycin A4 methyl ester (CHEBI:68263) is a polycyclic cage (CHEBI:33640)
platensimycin A4 methyl ester (CHEBI:68263) is a primary alcohol (CHEBI:15734)
platensimycin A4 methyl ester (CHEBI:68263) is a resorcinols (CHEBI:33572)
IUPAC Name 
methyl 2,4-dihydroxy-3-({3-[(1S,4aS,6S,7S,9S,9aR)-6-(hydroxymethyl)-1-methyl-2-oxo-1,2,5,6,7,8,9,9a-octahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanoyl}amino)benzoate
Citations