Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:82987 - monacolin L acid
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
monacolin L acid
ChEBI ID
CHEBI:82987
Definition
A polyketide obtained by hydrolysis of the pyranone ring of monacolin L.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C19H30O4
Net Charge
0
Average Mass
322.43910
Monoisotopic Mass
322.21441
InChI
InChI=1S/C19H30O4/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-
5,9,12-
13,15-
18,20-
21H,3,6-
8,10-
11H2,1-
2H3,(H,22,23)
/t12-
,13+,15-
,16-
,17+,18+/m1/s1
InChIKey
RPDSFBJYUHLDNI-MHMDBQTNSA-N
SMILES
C[C@@H]1CC[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
Aspergillus terreus
(NCBI:txid33178)
of strain ATCC 20542 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):
Aspergillus metabolite
Any fungal metabolite produced during a metabolic reaction in the mould,
Aspergillus
.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
monacolin L acid (
CHEBI:82987
)
has functional parent
monacolin L (
CHEBI:50130
)
monacolin L acid (
CHEBI:82987
)
has role
Aspergillus
metabolite (
CHEBI:76956
)
monacolin L acid (
CHEBI:82987
)
is a
dihydroxy monocarboxylic acid (
CHEBI:35972
)
monacolin L acid (
CHEBI:82987
)
is a
hexahydronaphthalenes (
CHEBI:142348
)
monacolin L acid (
CHEBI:82987
)
is a
polyketide (
CHEBI:26188
)
monacolin L acid (
CHEBI:82987
)
is conjugate acid of
monacolin L carboxylate (
CHEBI:79044
)
Incoming
monacolin L carboxylate (
CHEBI:79044
)
is conjugate base of
monacolin L acid (
CHEBI:82987
)
IUPAC Name
(3
R
,5
R
)-
7-
[(1
S
,2
S
,6
R
,8a
R
)-
2,6-
dimethyl-
1,2,6,7,8,8a-
hexahydronaphthalen-
1-
yl]-
3,5-
dihydroxyheptanoic acid
Registry Number
Type
Source
8795513
Reaxys Registry Number
Reaxys
Citations
Types
Sources
21495633
PubMed citation
Europe PMC
2276977
PubMed citation
Europe PMC
2921224
PubMed citation
Europe PMC
Last Modified
23 September 2018