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CHEBI:68240 - platensimycin B4 methyl ester

ChEBI IDCHEBI:68240
ChEBI Nameplatensimycin B4 methyl ester
Stars
ASCII Nameplatensimycin B4 methyl ester
DefinitionA polycyclic cage that is the methyl ester derivative of platensimycin B4. It is isolated from Streptomyces platensis.
Last Modified6 March 2014
DownloadsMolfile
FormulaC31H39NO12
Net Charge0
Average Mass617.648
Monoisotopic Mass617.24723
SMILES[H][C@]12C[C@]34C=CC(=O)[C@@](C)(CCC(=O)Nc5c(O[C@H]6O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]6O)ccc(C(=O)OC)c5O)[C@]3([H])[C@]([H])(C1)O[C@@]2(C)C4
InChIInChI=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
InChIKeyHZTAOXBAUZXJML-XQBRAWNUSA-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 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
Citations