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ChEBI
> Main
CHEBI:82970 - dihydromonacolin L acid
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ChEBI Name
dihydromonacolin L acid
ChEBI ID
CHEBI:82970
Definition
A polyketide obtained by hydrolysis of the pyranone ring of dihydromonacolin L.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C19H32O4
Net Charge
0
Average Mass
324.45500
Monoisotopic Mass
324.23006
InChI
InChI=1S/C19H32O4/c1-
12-
3-
7-
18-
14(9-
12)
5-
4-
13(2)
17(18)
8-
6-
15(20)
10-
16(21)
11-
19(22)
23/h4-
5,12-
18,20-
21H,3,6-
11H2,1-
2H3,(H,22,23)
/t12-
,13+,14+,15-
,16-
,17+,18+/m1/s1
InChIKey
NYKUCCPVLWRDEZ-VCWNUMGPSA-N
SMILES
C[C@@H]1CC[C@H]2[C@H](C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(O)=O
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):
Saccharomyces cerevisiae metabolite
Any fungal metabolite produced during a metabolic reaction in Baker's yeast (
Saccharomyces cerevisiae
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
dihydromonacolin L acid (
CHEBI:82970
)
has functional parent
dihydromonacolin L (
CHEBI:14158
)
dihydromonacolin L acid (
CHEBI:82970
)
has role
Saccharomyces cerevisiae
metabolite (
CHEBI:75772
)
dihydromonacolin L acid (
CHEBI:82970
)
is a
carbobicyclic compound (
CHEBI:36785
)
dihydromonacolin L acid (
CHEBI:82970
)
is a
dihydroxy monocarboxylic acid (
CHEBI:35972
)
dihydromonacolin L acid (
CHEBI:82970
)
is a
octahydronaphthalenes (
CHEBI:138397
)
dihydromonacolin L acid (
CHEBI:82970
)
is a
polyketide (
CHEBI:26188
)
dihydromonacolin L acid (
CHEBI:82970
)
is conjugate acid of
dihydromonacolin L carboxylate (
CHEBI:79031
)
Incoming
3α-hydroxy-3,5-dihydromonacolin L acid (
CHEBI:82972
)
has functional parent
dihydromonacolin L acid (
CHEBI:82970
)
dihydromonacolin L carboxylate (
CHEBI:79031
)
is conjugate base of
dihydromonacolin L acid (
CHEBI:82970
)
IUPAC Name
(3
R
,5
R
)-
7-
[(1
S
,2
S
,4a
R
,6
R
,8a
S
)-
2,6-
dimethyl-
1,2,4a,5,6,7,8,8a-
octahydronaphthalen-
1-
yl]-
3,5-
dihydroxyheptanoic acid
Registry Number
Type
Source
23775017
Reaxys Registry Number
Reaxys
Citations
Types
Sources
21495633
PubMed citation
Europe PMC
2276977
PubMed citation
Europe PMC
23653178
PubMed citation
Europe PMC
Last Modified
07 September 2017