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CHEBI:82971 - monacolin J acid

ChEBI IDCHEBI:82971
ChEBI Namemonacolin J acid
Stars
DefinitionA polyketide obtained by hydrolysis of the pyranone ring of monacolin J.
Last Modified23 September 2018
SubmitterSteve
DownloadsMolfile
FormulaC19H30O5
Net Charge0
Average Mass338.444
Monoisotopic Mass338.20932
SMILES[H][C@@]12C(=C[C@H](C)C[C@@H]1O)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)O
InChIInChI=1S/C19H30O5/c1-11-7-13-4-3-12(2)16(19(13)17(22)8-11)6-5-14(20)9-15(21)10-18(23)24/h3-4,7,11-12,14-17,19-22H,5-6,8-10H2,1-2H3,(H,23,24)/t11-,12-,14+,15+,16-,17-,19-/m0/s1
InChIKeyFJQFRDAWQRBFCG-IRUSZSJRSA-N
Species of MetaboliteComponentSourceComments
Monascus ruber (ncbitaxon:89489) - PubMed (3839227)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
ChEBI Ontology
Outgoing Relation(s)
monacolin J acid (CHEBI:82971) has functional parent monacolin J (CHEBI:79034)
monacolin J acid (CHEBI:82971) has role fungal metabolite (CHEBI:76946)
monacolin J acid (CHEBI:82971) is a hexahydronaphthalenes (CHEBI:142348)
monacolin J acid (CHEBI:82971) is a hydroxy monocarboxylic acid (CHEBI:35868)
monacolin J acid (CHEBI:82971) is a polyketide (CHEBI:26188)
monacolin J acid (CHEBI:82971) is conjugate acid of monacolin J carboxylate (CHEBI:79035)
Incoming Relation(s)
monacolin J carboxylate (CHEBI:79035) is conjugate base of monacolin J acid (CHEBI:82971)
IUPAC Name 
(3R,5R)-3,5-dihydroxy-7-[(1S,2S,6R,8S,8aR)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid
Registry NumbersSources
Reaxys:9437849Reaxys
Citations