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CHEBI:68249 - platencin A1

ChEBI IDCHEBI:68249
ChEBI Nameplatencin A1
Stars
ASCII Nameplatencin A1
DefinitionA polycyclic cage that is the 9-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@]12C[C@@H](O)[C@@]3(C=CC(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)O)c4O)[C@]3([H])C1)CC2=C
InChIInChI=1S/C24H27NO7/c1-12-11-24-8-5-17(27)23(2,16(24)9-13(12)10-18(24)28)7-6-19(29)25-20-15(26)4-3-14(21(20)30)22(31)32/h3-5,8,13,16,18,26,28,30H,1,6-7,9-11H2,2H3,(H,25,29)(H,31,32)/t13-,16+,18-,23+,24+/m1/s1
InChIKeyKCPPASJQWABQQM-XLJNEENLSA-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 A1 (CHEBI:68249) has functional parent platencin (CHEBI:68241)
platencin A1 (CHEBI:68249) has role bacterial metabolite (CHEBI:76969)
platencin A1 (CHEBI:68249) is a aromatic amide (CHEBI:62733)
platencin A1 (CHEBI:68249) is a cyclic ketone (CHEBI:3992)
platencin A1 (CHEBI:68249) is a dihydroxybenzoic acid (CHEBI:23778)
platencin A1 (CHEBI:68249) is a monocarboxylic acid amide (CHEBI:29347)
platencin A1 (CHEBI:68249) is a polycyclic cage (CHEBI:33640)
platencin A1 (CHEBI:68249) is a secondary alcohol (CHEBI:35681)
Incoming Relation(s)
platencin A1 methyl ester (CHEBI:68250) has functional parent platencin A1 (CHEBI:68249)
IUPAC Name 
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)benzoic acid
Registry NumbersSources
Reaxys:20696045Reaxys
Citations