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CHEBI:68256 - platensic acid

ChEBI IDCHEBI:68256
ChEBI Nameplatensic acid
Stars
DefinitionA polycyclic cage attached to a 2-carboxyethyl side chain. It is isolated from Streptomyces platensis.
Last Modified9 September 2013
DownloadsMolfile
FormulaC17H22O4
Net Charge0
Average Mass290.359
Monoisotopic Mass290.15181
SMILES[H][C@]12C[C@]34C=CC(=O)[C@@](C)(CCC(=O)O)[C@]3([H])[C@]([H])(C1)O[C@@]2(C)C4
InChIInChI=1S/C17H22O4/c1-15(5-4-13(19)20)12(18)3-6-17-8-10-7-11(14(15)17)21-16(10,2)9-17/h3,6,10-11,14H,4-5,7-9H2,1-2H3,(H,19,20)/t10-,11+,14+,15-,16+,17+/m1/s1
InChIKeyRQCNJFMDDXEKEP-ZMKNGNPLSA-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:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
platensic acid (CHEBI:68256) has role metabolite (CHEBI:25212)
platensic acid (CHEBI:68256) is a cyclic ether (CHEBI:37407)
platensic acid (CHEBI:68256) is a cyclic ketone (CHEBI:3992)
platensic acid (CHEBI:68256) is a monocarboxylic acid (CHEBI:25384)
platensic acid (CHEBI:68256) is a polycyclic cage (CHEBI:33640)
Incoming Relation(s)
14-hydroxyplatensic acid (CHEBI:68258) has functional parent platensic acid (CHEBI:68256)
platensic acid methyl ester (CHEBI:68257) has functional parent platensic acid (CHEBI:68256)
IUPAC Name 
3-[(1S,4aS,6S,7S,9S,9aR)-1,6-dimethyl-2-oxo-1,2,5,6,7,8,9,9a-octahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanoic acid
Registry NumbersSources
Reaxys:19006909Reaxys
Citations