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CHEBI:68250 - platencin A1 methyl ester

ChEBI IDCHEBI:68250
ChEBI Nameplatencin A1 methyl ester
Stars
ASCII Nameplatencin A1 methyl ester
DefinitionA polycyclic cage that is the methyl ester derivative of platencin A1. 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@@H](O)[C@@]3(C=CC(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)OC)c4O)[C@]3([H])C1)CC2=C
InChIInChI=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
InChIKeyFHEDZLXSZGPRCC-GPDGHYKFSA-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 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 NumbersSources
Reaxys:21394572Reaxys
Citations