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CHEBI:68251 - platencin A2

ChEBI IDCHEBI:68251
ChEBI Nameplatencin A2
Stars
ASCII Nameplatencin A2
DefinitionA polycyclic cage that is the 3-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@@]3([H])C(=C)C[C@]1(C=CC(=O)[C@@]2(C)CCC(=O)Nc1c(O)ccc(C(=O)O)c1O)C[C@@H]3O
InChIInChI=1S/C24H27NO7/c1-12-10-24-8-5-18(28)23(2,17(24)9-14(12)16(27)11-24)7-6-19(29)25-20-15(26)4-3-13(21(20)30)22(31)32/h3-5,8,14,16-17,26-27,30H,1,6-7,9-11H2,2H3,(H,25,29)(H,31,32)/t14-,16-,17-,23-,24+/m0/s1
InChIKeyVABLHCSPDCPVNA-WXPHICKRSA-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 A2 (CHEBI:68251) has functional parent platencin (CHEBI:68241)
platencin A2 (CHEBI:68251) has role bacterial metabolite (CHEBI:76969)
platencin A2 (CHEBI:68251) is a aromatic amide (CHEBI:62733)
platencin A2 (CHEBI:68251) is a cyclic ketone (CHEBI:3992)
platencin A2 (CHEBI:68251) is a dihydroxybenzoic acid (CHEBI:23778)
platencin A2 (CHEBI:68251) is a monocarboxylic acid amide (CHEBI:29347)
platencin A2 (CHEBI:68251) is a polycyclic cage (CHEBI:33640)
platencin A2 (CHEBI:68251) is a secondary alcohol (CHEBI:35681)
Incoming Relation(s)
platencin A2 methyl ester (CHEBI:68252) has functional parent platencin A2 (CHEBI:68251)
IUPAC Name 
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)benzoic acid
Registry NumbersSources
Reaxys:20696044Reaxys
Citations