EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:68258 - 14-hydroxyplatensic acid

ChEBI IDCHEBI:68258
ChEBI Name14-hydroxyplatensic acid
Stars
DefinitionA polycyclic cage that is the 14-hydroxy derivative of platensic acid. It is isolated from Streptomyces platensis.
Last Modified9 September 2013
DownloadsMolfile
FormulaC17H22O5
Net Charge0
Average Mass306.358
Monoisotopic Mass306.14672
SMILES[H][C@]12C[C@]34C=CC(=O)[C@@](C)(CCC(=O)O)[C@]3([H])[C@]([H])(C1)O[C@@]2(C)[C@@H]4O
InChIInChI=1S/C17H22O5/c1-15(5-4-12(19)20)11(18)3-6-17-8-9-7-10(13(15)17)22-16(9,2)14(17)21/h3,6,9-10,13-14,21H,4-5,7-8H2,1-2H3,(H,19,20)/t9-,10+,13+,14+,15-,16-,17-/m1/s1
InChIKeyTVMUTJRGKLRTET-IOXDDUNPSA-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)
14-hydroxyplatensic acid (CHEBI:68258) has functional parent platensic acid (CHEBI:68256)
14-hydroxyplatensic acid (CHEBI:68258) has role metabolite (CHEBI:25212)
14-hydroxyplatensic acid (CHEBI:68258) is a cyclic ether (CHEBI:37407)
14-hydroxyplatensic acid (CHEBI:68258) is a cyclic ketone (CHEBI:3992)
14-hydroxyplatensic acid (CHEBI:68258) is a monocarboxylic acid (CHEBI:25384)
14-hydroxyplatensic acid (CHEBI:68258) is a polycyclic cage (CHEBI:33640)
14-hydroxyplatensic acid (CHEBI:68258) is a secondary alcohol (CHEBI:35681)
Incoming Relation(s)
14-hydroxyplatensic acid methyl ester (CHEBI:68259) has functional parent 14-hydroxyplatensic acid (CHEBI:68258)
IUPAC Name 
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]propanoic acid
Citations