CHEBI:68240 - platensimycin B₄ methyl ester

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name platensimycin B4 methyl ester ChEBI ID CHEBI:68240 ChEBI ASCII Name platensimycin B4 methyl ester Definition A polycyclic cage that is the methyl ester derivative of platensimycin B4. 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 C31H39NO12 Net Charge 0 Average Mass 617.64090 Monoisotopic Mass 617.24723 InChI InChI=1S/C31H39NO12/c1-29(19(34)6-9-31-11-14-10-17(26(29)31)44-30(14,2)13-31)8-7-20(35)32-21-16(5-4-15(22(21)36)27(40)41-3)42-28-25(39)24(38)23(37)18(12-33)43-28/h4-6,9,14,17-18,23-26,28,33,36-39H,7-8,10-13H2,1-3H3,(H,32,35)/t14-,17+,18+,23+,24-,25+,26+,28+,29-,30+,31+/m1/s1 InChIKey HZTAOXBAUZXJML-XQBRAWNUSA-N SMILES [H][C@]12C[C@]3([H])O[C@@]1(C)C[C@@]1(C2)C=CC(=O)[C@@](C)(CCC(=O)Nc2c(O)c(ccc2O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C(=O)OC)[C@]31[H] 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 platensimycin B4 methyl ester (CHEBI:68240) has functional parent platensimycin B4 (CHEBI:68239) platensimycin B4 methyl ester (CHEBI:68240) has role bacterial metabolite (CHEBI:76969) platensimycin B4 methyl ester (CHEBI:68240) is a aromatic amide (CHEBI:62733) platensimycin B4 methyl ester (CHEBI:68240) is a benzoate ester (CHEBI:36054) platensimycin B4 methyl ester (CHEBI:68240) is a cyclic ether (CHEBI:37407) platensimycin B4 methyl ester (CHEBI:68240) is a cyclic ketone (CHEBI:3992) platensimycin B4 methyl ester (CHEBI:68240) is a monocarboxylic acid amide (CHEBI:29347) platensimycin B4 methyl ester (CHEBI:68240) is a monosaccharide derivative (CHEBI:63367) platensimycin B4 methyl ester (CHEBI:68240) is a phenols (CHEBI:33853) platensimycin B4 methyl ester (CHEBI:68240) is a polycyclic cage (CHEBI:33640) IUPAC Name methyl 3-({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)-4-(β-L-glucopyranosyloxy)-2-hydroxybenzoate Citation Type Source 21214253 PubMed citation Europe PMC Last Modified 06 March 2014