CHEBI:82971 - monacolin J acid

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ChEBI Name monacolin J acid
ChEBI ID CHEBI:82971
Definition A polyketide obtained by hydrolysis of the pyranone ring of monacolin J.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C19H30O5
Net Charge 0
Average Mass 338.43850
Monoisotopic Mass 338.20932
InChI InChI=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
InChIKey FJQFRDAWQRBFCG-IRUSZSJRSA-N
SMILES C[C@@H]1C[C@H](O)[C@@H]2[C@@H](CC[C@@H](O)C[C@@H](O)CC(O)=O)[C@@H](C)C=CC2=C1
Metabolite of Species Details
Monascus ruber (NCBI:txid89489) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): fungal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Number Type Source
9437849 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
17625941 PubMed citation Europe PMC
19875080 PubMed citation Europe PMC
21495633 PubMed citation Europe PMC
3839227 PubMed citation Europe PMC
Last Modified
23 September 2018