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CHEBI:68252 - platencin A2 methyl ester

ChEBI IDCHEBI:68252
ChEBI Nameplatencin A2 methyl ester
Stars
ASCII Nameplatencin A2 methyl ester
DefinitionA polycyclic cage that is the methyl ester derivative of platencin A2. It is isolated from Streptomyces platensis.
Last Modified7 March 2018
DownloadsMolfile
FormulaC25H29NO7
Net Charge0
Average Mass455.507
Monoisotopic Mass455.19440
SMILES[H][C@@]12C[C@@]3([H])C(=C)C[C@]1(C=CC(=O)[C@@]2(C)CCC(=O)Nc1c(O)ccc(C(=O)OC)c1O)C[C@@H]3O
InChIInChI=1S/C25H29NO7/c1-13-11-25-9-6-19(29)24(2,18(25)10-15(13)17(28)12-25)8-7-20(30)26-21-16(27)5-4-14(22(21)31)23(32)33-3/h4-6,9,15,17-18,27-28,31H,1,7-8,10-12H2,2-3H3,(H,26,30)/t15-,17-,18-,24-,25+/m0/s1
InChIKeyAWKBYGDVFUXVBB-OUBSXGCGSA-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)
platencin A2 methyl ester (CHEBI:68252) has functional parent platencin A2 (CHEBI:68251)
platencin A2 methyl ester (CHEBI:68252) has role bacterial metabolite (CHEBI:76969)
platencin A2 methyl ester (CHEBI:68252) is a aromatic amide (CHEBI:62733)
platencin A2 methyl ester (CHEBI:68252) is a cyclic ketone (CHEBI:3992)
platencin A2 methyl ester (CHEBI:68252) is a methyl ester (CHEBI:25248)
platencin A2 methyl ester (CHEBI:68252) is a polycyclic cage (CHEBI:33640)
platencin A2 methyl ester (CHEBI:68252) is a secondary carboxamide (CHEBI:140325)
IUPAC Name 
methyl 2,4-dihydroxy-3-({3-[(2S,3S,4aR,8S,8aR)-3-hydroxy-8-methyl-10-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2H-2,4a-ethanonaphthalen-8-yl]propanoyl}amino)benzoate
Registry NumbersSources
Reaxys:21394569Reaxys
Citations