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CHEBI:68246 - platensimide A

ChEBI IDCHEBI:68246
ChEBI Nameplatensimide A
Stars
DefinitionA polycyclic cage compound that is a carboxamide obtained by the formal condensation of the amino group of 4-(acetylamino)-2-aminobutanoic acid with the carboxy group of the oxatetracyclic cage component. It is isolated from Streptomyces platensis.
Last Modified6 September 2013
DownloadsMolfile
FormulaC23H32N2O6
Net Charge0
Average Mass432.517
Monoisotopic Mass432.22604
SMILES[H][C@]12C[C@]34C=CC(=O)[C@@](C)(CCC(=O)N[C@@H](CCNC(C)=O)C(=O)O)[C@]3([H])[C@]([H])(C1)O[C@@]2(C)C4
InChIInChI=1S/C23H32N2O6/c1-13(26)24-9-6-15(20(29)30)25-18(28)5-7-21(2)17(27)4-8-23-11-14-10-16(19(21)23)31-22(14,3)12-23/h4,8,14-16,19H,5-7,9-12H2,1-3H3,(H,24,26)(H,25,28)(H,29,30)/t14-,15+,16+,19+,21-,22+,23+/m1/s1
InChIKeyDFUHBSQGPGWPQE-UBSGIXRYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces platensis (ncbitaxon:58346) - PubMed (21214253) Strain: MA7327
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
platensimide A (CHEBI:68246) has role metabolite (CHEBI:25212)
platensimide A (CHEBI:68246) is a acetamides (CHEBI:22160)
platensimide A (CHEBI:68246) is a cyclic ether (CHEBI:37407)
platensimide A (CHEBI:68246) is a cyclic ketone (CHEBI:3992)
platensimide A (CHEBI:68246) is a monocarboxylic acid (CHEBI:25384)
platensimide A (CHEBI:68246) is a polycyclic cage (CHEBI:33640)
IUPAC Name 
(2S)-4-(acetylamino)-2-({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]propanoyl}amino)butanoic acid
Registry NumbersSources
Reaxys:19006912Reaxys
Citations