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CHEBI:68262 - platensimycin A3 methyl ester

ChEBI IDCHEBI:68262
ChEBI Nameplatensimycin A3 methyl ester
Stars
DefinitionA polycyclic cage that is the methyl ester derivative of 7-hydroxy substituted platensimycin. It is isolated from Streptomyces platensis.
Last Modified6 March 2014
DownloadsMolfile
FormulaC25H29NO8
Net Charge0
Average Mass471.506
Monoisotopic Mass471.18932
SMILES[H][C@@]12[C@@]3(C=CC(=O)[C@@]1(C)CCC(=O)Nc1c(O)ccc(C(=O)OC)c1O)C[C@@]1(O)C[C@]2([H])O[C@@]1(C)C3
InChIInChI=1S/C25H29NO8/c1-22(8-7-17(29)26-18-14(27)5-4-13(19(18)30)21(31)33-3)16(28)6-9-24-11-23(2)25(32,12-24)10-15(34-23)20(22)24/h4-6,9,15,20,27,30,32H,7-8,10-12H2,1-3H3,(H,26,29)/t15-,20-,22+,23-,24+,25-/m0/s1
InChIKeySNYJGFQPMREKTL-RIBUPEPRSA-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 A3 methyl ester (CHEBI:68262) has functional parent platensimycin (CHEBI:68236)
platensimycin A3 methyl ester (CHEBI:68262) has role bacterial metabolite (CHEBI:76969)
platensimycin A3 methyl ester (CHEBI:68262) is a aromatic amide (CHEBI:62733)
platensimycin A3 methyl ester (CHEBI:68262) is a benzoate ester (CHEBI:36054)
platensimycin A3 methyl ester (CHEBI:68262) is a cyclic ether (CHEBI:37407)
platensimycin A3 methyl ester (CHEBI:68262) is a cyclic ketone (CHEBI:3992)
platensimycin A3 methyl ester (CHEBI:68262) is a monocarboxylic acid amide (CHEBI:29347)
platensimycin A3 methyl ester (CHEBI:68262) is a polycyclic cage (CHEBI:33640)
platensimycin A3 methyl ester (CHEBI:68262) is a resorcinols (CHEBI:33572)
platensimycin A3 methyl ester (CHEBI:68262) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
methyl 2,4-dihydroxy-3-({3-[(1S,4aS,6S,7R,9S,9aR)-7-hydroxy-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)benzoate
Registry NumbersSources
Reaxys:21394573Reaxys
Citations