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CHEBI:68253 - platencin A3

ChEBI IDCHEBI:68253
ChEBI Nameplatencin A3
Stars
ASCII Nameplatencin A3
DefinitionA polycyclic cage that is the 4-hydroxy derivative of platencin. It is isolated from Streptomyces platensis.
Last Modified6 March 2014
DownloadsMolfile
FormulaC24H27NO7
Net Charge0
Average Mass441.480
Monoisotopic Mass441.17875
SMILES[H][C@]12CC[C@@]3(C=CC(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)O)c4O)[C@]3([H])C1)[C@@H](O)C2=C
InChIInChI=1S/C24H27NO7/c1-12-13-5-9-24(21(12)30)10-6-17(27)23(2,16(24)11-13)8-7-18(28)25-19-15(26)4-3-14(20(19)29)22(31)32/h3-4,6,10,13,16,21,26,29-30H,1,5,7-9,11H2,2H3,(H,25,28)(H,31,32)/t13-,16-,21-,23-,24-/m0/s1
InChIKeyFHLUNOXZZMCXBM-GFZIYMICSA-N
Species of MetaboliteComponentSourceComments
Streptomyces platensis (ncbitaxon:58346) - PubMed (21214253) Strain: MA7327
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
platencin A3 (CHEBI:68253) has functional parent platencin (CHEBI:68241)
platencin A3 (CHEBI:68253) has role bacterial metabolite (CHEBI:76969)
platencin A3 (CHEBI:68253) is a aromatic amide (CHEBI:62733)
platencin A3 (CHEBI:68253) is a cyclic ketone (CHEBI:3992)
platencin A3 (CHEBI:68253) is a dihydroxybenzoic acid (CHEBI:23778)
platencin A3 (CHEBI:68253) is a monocarboxylic acid amide (CHEBI:29347)
platencin A3 (CHEBI:68253) is a polycyclic cage (CHEBI:33640)
platencin A3 (CHEBI:68253) is a secondary alcohol (CHEBI:35681)
Incoming Relation(s)
platencin A3 methyl ester (CHEBI:68254) has functional parent platencin A3 (CHEBI:68253)
IUPAC Name 
2,4-dihydroxy-3-({3-[(2S,4S,4aS,8S,8aR)-4-hydroxy-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2H-2,4a-ethanonaphthalen-8-yl]propanoyl}amino)benzoic acid
Registry NumbersSources
Reaxys:20323716Reaxys
Citations