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> Main
CHEBI:182711 - pacificanone A
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ChEBI Name
pacificanone A
ChEBI ID
CHEBI:182711
Definition
A polyketide isolated from the marine actinomycete
Salinispora pacifica
.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
MetaboLights
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Formula
C20H34O3
Net Charge
0
Average Mass
322.489
Monoisotopic Mass
322.25079
InChI
InChI=1S/C20H34O3/c1-
7-
17-
12-
15(5)
20(23,16(6)
19(17)
22)
10-
9-
13(3)
11-
14(4)
18(21)
8-
2/h9-
11,14-
18,21,23H,7-
8,12H2,1-
6H3/b10-
9+,13-
11+/t14-
,15+,16+,17-
,18+,20+/m0/s1
InChIKey
JSPPQWVTDRBUIB-QYIUIDRUSA-N
SMILES
CC[C@@H](O)[C@@H](C)\C=C(/C)\C=C\[C@@]1(O)[C@H](C)C[C@H](CC)C(=O)[C@H]1C
Metabolite of Species
Details
Salinispora pacifica
(NCBI:txid351187)
Found in cell suspension culture
(BTO:0000221)
. of strain CNS-237 See:
PubMed
Roles Classification
Biological Role
(s):
marine metabolite
Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
pacificanone A (
CHEBI:182711
)
has role
bacterial metabolite (
CHEBI:76969
)
pacificanone A (
CHEBI:182711
)
has role
marine metabolite (
CHEBI:76507
)
pacificanone A (
CHEBI:182711
)
is a
cyclohexanones (
CHEBI:23482
)
pacificanone A (
CHEBI:182711
)
is a
diol (
CHEBI:23824
)
pacificanone A (
CHEBI:182711
)
is a
olefinic compound (
CHEBI:78840
)
pacificanone A (
CHEBI:182711
)
is a
polyketide (
CHEBI:26188
)
IUPAC Name
(2
S
,3
S
,4
R
,6
S
)-
6-
ethyl-
3-
hydroxy-
3-
[(1
E
,3
E
,5
S
,6
R
)-
6-
hydroxy-
3,5-
dimethylocta-
1,3-
dien-
1-
yl]-
2,4-
dimethylcyclohexanone
Synonym
Source
(−)-pacificanone A
ChEBI
Manual Xrefs
Databases
27023324
ChemSpider
C00039915
KNApSAcK
View more database links
Registry Number
Type
Source
1016901-16-8
CAS Registry Number
KNApSAcK
Citations
Types
Sources
18321059
PubMed citation
Europe PMC
25930739
PubMed citation
Europe PMC
Last Modified
20 November 2023