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CHEBI:68255 - platensin A4

ChEBI IDCHEBI:68255
ChEBI Nameplatensin A4
Stars
DefinitionA polycyclic cage that is the 3-hydroxy derivative of platencin. It is isolated from Streptomyces platensis.
Last Modified6 March 2014
DownloadsMolfile
FormulaC24H29NO7
Net Charge0
Average Mass443.496
Monoisotopic Mass443.19440
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[C@@]2(C)O
InChIInChI=1S/C24H29NO7/c1-22(8-7-18(28)25-19-15(26)4-3-14(20(19)29)21(30)31)16-11-13-5-9-24(16,10-6-17(22)27)12-23(13,2)32/h3-4,6,10,13,16,26,29,32H,5,7-9,11-12H2,1-2H3,(H,25,28)(H,30,31)/t13-,16-,22-,23+,24+/m0/s1
InChIKeyPNAZDWJMYGFNNJ-NAXDPANMSA-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)
platensin A4 (CHEBI:68255) has functional parent platencin (CHEBI:68241)
platensin A4 (CHEBI:68255) has role bacterial metabolite (CHEBI:76969)
platensin A4 (CHEBI:68255) is a aromatic amide (CHEBI:62733)
platensin A4 (CHEBI:68255) is a cyclic ketone (CHEBI:3992)
platensin A4 (CHEBI:68255) is a dihydroxybenzoic acid (CHEBI:23778)
platensin A4 (CHEBI:68255) is a monocarboxylic acid amide (CHEBI:29347)
platensin A4 (CHEBI:68255) is a polycyclic cage (CHEBI:33640)
platensin A4 (CHEBI:68255) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
2,4-dihydroxy-3-({3-[(2S,3R,4aS,8S,8aR)-3-hydroxy-3,8-dimethyl-7-oxo-1,3,4,7,8,8a-hexahydro-2H-2,4a-ethanonaphthalen-8-yl]propanoyl}amino)benzoic acid
Registry NumbersSources
Reaxys:20323714Reaxys
Citations