CHEBI:68250 - platencin A₁ methyl ester

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name platencin A1 methyl ester ChEBI ID CHEBI:68250 ChEBI ASCII Name platencin A1 methyl ester Definition A polycyclic cage that is the methyl ester derivative of platencin A1. It is isolated from Streptomyces platensis. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C25H29NO7 Net Charge 0 Average Mass 455.50030 Monoisotopic Mass 455.19440 InChI InChI=1S/C25H29NO7/c1-13-12-25-9-6-18(28)24(2,17(25)10-14(13)11-19(25)29)8-7-20(30)26-21-16(27)5-4-15(22(21)31)23(32)33-3/h4-6,9,14,17,19,27,29,31H,1,7-8,10-12H2,2-3H3,(H,26,30)/t14-,17+,19-,24+,25+/m1/s1 InChIKey FHEDZLXSZGPRCC-GPDGHYKFSA-N SMILES [H][C@@]12C[C@@H](O)[C@]3(CC1=C)C=CC(=O)[C@@](C)(CCC(=O)Nc1c(O)ccc(C(=O)OC)c1O)[C@]3([H])C2 Metabolite of Species Details Streptomyces platensis (NCBI:txid58346) of strain MA7327 See: PubMed Roles Classification Biological Role(s): bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. View more via ChEBI Ontology ChEBI Ontology Outgoing platencin A1 methyl ester (CHEBI:68250) has functional parent platencin A1 (CHEBI:68249) platencin A1 methyl ester (CHEBI:68250) has role bacterial metabolite (CHEBI:76969) platencin A1 methyl ester (CHEBI:68250) is a aromatic amide (CHEBI:62733) platencin A1 methyl ester (CHEBI:68250) is a cyclic ketone (CHEBI:3992) platencin A1 methyl ester (CHEBI:68250) is a methyl ester (CHEBI:25248) platencin A1 methyl ester (CHEBI:68250) is a polycyclic cage (CHEBI:33640) platencin A1 methyl ester (CHEBI:68250) is a secondary alcohol (CHEBI:35681) platencin A1 methyl ester (CHEBI:68250) is a secondary carboxamide (CHEBI:140325) IUPAC Name methyl 2,4-dihydroxy-3-({3-[(2R,4aR,8S,8aR,9R)-9-hydroxy-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2H-2,4a-ethanonaphthalen-8-yl]propanoyl}amino)benzoate Registry Number Type Source 21394572 Reaxys Registry Number Reaxys Citation Type Source 21214253 PubMed citation Europe PMC Last Modified 07 March 2018