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CHEBI:68243 - platensimycin A1 methyl ester

ChEBI IDCHEBI:68243
ChEBI Nameplatensimycin A1 methyl ester
Stars
ASCII Nameplatensimycin A1 methyl ester
DefinitionA polycyclic cage that is the methyl ester derivative of platensimycin A1 . It is isolated from Streptomyces platensis.
Last Modified7 March 2018
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(C)[C@@H]4O
InChIInChI=1S/C25H29NO8/c1-23(8-7-17(29)26-18-14(27)5-4-13(19(18)30)21(31)33-3)16(28)6-9-25-11-12-10-15(20(23)25)34-24(12,2)22(25)32/h4-6,9,12,15,20,22,27,30,32H,7-8,10-11H2,1-3H3,(H,26,29)/t12-,15+,20+,22+,23-,24-,25-/m1/s1
InChIKeyDNQXWIUWKPRGGF-OHIQKDTISA-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 A1 methyl ester (CHEBI:68243) has functional parent platensimycin A1 (CHEBI:68242)
platensimycin A1 methyl ester (CHEBI:68243) has role bacterial metabolite (CHEBI:76969)
platensimycin A1 methyl ester (CHEBI:68243) is a aromatic amide (CHEBI:62733)
platensimycin A1 methyl ester (CHEBI:68243) is a cyclic ether (CHEBI:37407)
platensimycin A1 methyl ester (CHEBI:68243) is a cyclic ketone (CHEBI:3992)
platensimycin A1 methyl ester (CHEBI:68243) is a methyl ester (CHEBI:25248)
platensimycin A1 methyl ester (CHEBI:68243) is a polycyclic cage (CHEBI:33640)
platensimycin A1 methyl ester (CHEBI:68243) is a resorcinols (CHEBI:33572)
platensimycin A1 methyl ester (CHEBI:68243) is a secondary alcohol (CHEBI:35681)
platensimycin A1 methyl ester (CHEBI:68243) is a secondary carboxamide (CHEBI:140325)
IUPAC Name 
methyl 2,4-dihydroxy-3-({3-[(1S,4aS,5R,6R,7S,9S,9aR)-5-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
Citations