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CHEBI:68242 - platensimycin A1

ChEBI IDCHEBI:68242
ChEBI Nameplatensimycin A1
Stars
ASCII Nameplatensimycin A1
DefinitionA polycyclic cage that is the 5-hydroxy derivative of platensimycin. It is isolated from Streptomyces platensis.
Last Modified6 March 2014
DownloadsMolfile
FormulaC24H27NO8
Net Charge0
Average Mass457.479
Monoisotopic Mass457.17367
SMILES[H][C@]12C[C@]34C=CC(=O)[C@@](C)(CCC(=O)Nc5c(O)ccc(C(=O)O)c5O)[C@]3([H])[C@]([H])(C1)O[C@@]2(C)[C@@H]4O
InChIInChI=1S/C24H27NO8/c1-22(7-6-16(28)25-17-13(26)4-3-12(18(17)29)20(30)31)15(27)5-8-24-10-11-9-14(19(22)24)33-23(11,2)21(24)32/h3-5,8,11,14,19,21,26,29,32H,6-7,9-10H2,1-2H3,(H,25,28)(H,30,31)/t11-,14+,19+,21+,22-,23-,24-/m1/s1
InChIKeyPATOIDCKGDRHNH-XLBJIJRQSA-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)
platensimycin A1 (CHEBI:68242) has functional parent platensimycin (CHEBI:68236)
platensimycin A1 (CHEBI:68242) has role bacterial metabolite (CHEBI:76969)
platensimycin A1 (CHEBI:68242) is a aromatic amide (CHEBI:62733)
platensimycin A1 (CHEBI:68242) is a cyclic ether (CHEBI:37407)
platensimycin A1 (CHEBI:68242) is a cyclic ketone (CHEBI:3992)
platensimycin A1 (CHEBI:68242) is a dihydroxybenzoic acid (CHEBI:23778)
platensimycin A1 (CHEBI:68242) is a monocarboxylic acid amide (CHEBI:29347)
platensimycin A1 (CHEBI:68242) is a polycyclic cage (CHEBI:33640)
platensimycin A1 (CHEBI:68242) is a secondary alcohol (CHEBI:35681)
Incoming Relation(s)
platensimycin A1 methyl ester (CHEBI:68243) has functional parent platensimycin A1 (CHEBI:68242)
IUPAC Name 
2,4-dihydroxy-3-({3-[(1S,4aS,5R,6R,7S,9S,9aR)-5-hydroxy-1,6-dimethyl-2-oxo-1,2,5,6,7,8,9,9a-octahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanoyl}amino)benzoic acid
Registry NumbersSources
Reaxys:19654425Reaxys
Citations