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CHEBI:68245 - platensimycin B3

ChEBI IDCHEBI:68245
ChEBI Nameplatensimycin B3
Stars
ASCII Nameplatensimycin B3
DefinitionA polycyclic cage that is the decarboxy derivative of platensimycin. It is isolated from Streptomyces platensis.
Last Modified6 March 2014
DownloadsMolfile
FormulaC23H27NO5
Net Charge0
Average Mass397.471
Monoisotopic Mass397.18892
SMILES[H][C@]12C[C@]34C=CC(=O)[C@@](C)(CCC(=O)Nc5c(O)cccc5O)[C@]3([H])[C@]([H])(C1)O[C@@]2(C)C4
InChIInChI=1S/C23H27NO5/c1-21(8-7-18(28)24-19-14(25)4-3-5-15(19)26)17(27)6-9-23-11-13-10-16(20(21)23)29-22(13,2)12-23/h3-6,9,13,16,20,25-26H,7-8,10-12H2,1-2H3,(H,24,28)/t13-,16+,20+,21-,22+,23+/m1/s1
InChIKeyVAXBYZCUDVPKHJ-YIBOSTEYSA-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 B3 (CHEBI:68245) has functional parent platensimycin (CHEBI:68236)
platensimycin B3 (CHEBI:68245) has role bacterial metabolite (CHEBI:76969)
platensimycin B3 (CHEBI:68245) is a aromatic amide (CHEBI:62733)
platensimycin B3 (CHEBI:68245) is a cyclic ether (CHEBI:37407)
platensimycin B3 (CHEBI:68245) is a cyclic ketone (CHEBI:3992)
platensimycin B3 (CHEBI:68245) is a monocarboxylic acid amide (CHEBI:29347)
platensimycin B3 (CHEBI:68245) is a polycyclic cage (CHEBI:33640)
platensimycin B3 (CHEBI:68245) is a resorcinols (CHEBI:33572)
IUPAC Name 
N-(2,6-dihydroxyphenyl)-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]propanamide
Registry NumbersSources
Reaxys:19317591Reaxys
Citations