CHEBI:68246 - platensimide A

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ChEBI Name platensimide A
ChEBI ID CHEBI:68246
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB5855401, ZINC000005854633
Download Molfile XML SDF
Formula C23H32N2O6
Net Charge 0
Average Mass 432.51000
Monoisotopic Mass 432.22604
InChI InChI=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
InChIKey DFUHBSQGPGWPQE-UBSGIXRYSA-N
SMILES [H][C@]12C[C@]3([H])O[C@@]1(C)C[C@@]1(C2)C=CC(=O)[C@@](C)(CCC(=O)N[C@@H](CCNC(C)=O)C(O)=O)[C@]31[H]
Metabolite of Species Details
Streptomyces platensis (NCBI:txid58346) of strain MA7327 See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Number Type Source
19006912 Reaxys Registry Number Reaxys
Citations Types Sources
18393511 PubMed citation Europe PMC
19874023 PubMed citation Europe PMC
21214253 PubMed citation Europe PMC
Last Modified
06 September 2013