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> Main
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.
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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 (Br
o
nsted 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
(3
R
,5
R
)-
3,5-
dihydroxy-
7-
[(1
S
,2
S
,6
R
,8
S
,8a
R
)-
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
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