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ChEBI
> Main
CHEBI:68240 - platensimycin B
4
methyl ester
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ChEBI Name
platensimycin B
4
methyl ester
ChEBI ID
CHEBI:68240
ChEBI ASCII Name
platensimycin B4 methyl ester
Definition
A polycyclic cage that is the methyl ester derivative of platensimycin B
4
. It is isolated from
Streptomyces platensis
.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C31H39NO12
Net Charge
0
Average Mass
617.64090
Monoisotopic Mass
617.24723
InChI
InChI=1S/C31H39NO12/c1-
29(19(34)
6-
9-
31-
11-
14-
10-
17(26(29)
31)
44-
30(14,2)
13-
31)
8-
7-
20(35)
32-
21-
16(5-
4-
15(22(21)
36)
27(40)
41-
3)
42-
28-
25(39)
24(38)
23(37)
18(12-
33)
43-
28/h4-
6,9,14,17-
18,23-
26,28,33,36-
39H,7-
8,10-
13H2,1-
3H3,(H,32,35)
/t14-
,17+,18+,23+,24-
,25+,26+,28+,29-
,30+,31+/m1/s1
InChIKey
HZTAOXBAUZXJML-XQBRAWNUSA-N
SMILES
[H]
[C@]
12C[C@]
3([H]
)
O[C@@]
1(C)
C[C@@]
1(C2)
C=CC(=O)
[C@@]
(C)
(CCC(=O)
Nc2c(O)
c(ccc2O[C@H]
2O[C@@H]
(CO)
[C@H]
(O)
[C@@H]
(O)
[C@@H]
2O)
C(=O)
OC)
[C@]
31[H]
Metabolite of Species
Details
Streptomyces platensis
(NCBI:txid58346)
of strain MA7327 See:
PubMed
Roles Classification
Biological Role
(s):
bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
platensimycin B
4
methyl ester (
CHEBI:68240
)
has functional parent
platensimycin B
4
(
CHEBI:68239
)
platensimycin B
4
methyl ester (
CHEBI:68240
)
has role
bacterial metabolite (
CHEBI:76969
)
platensimycin B
4
methyl ester (
CHEBI:68240
)
is a
aromatic amide (
CHEBI:62733
)
platensimycin B
4
methyl ester (
CHEBI:68240
)
is a
benzoate ester (
CHEBI:36054
)
platensimycin B
4
methyl ester (
CHEBI:68240
)
is a
cyclic ether (
CHEBI:37407
)
platensimycin B
4
methyl ester (
CHEBI:68240
)
is a
cyclic ketone (
CHEBI:3992
)
platensimycin B
4
methyl ester (
CHEBI:68240
)
is a
monocarboxylic acid amide (
CHEBI:29347
)
platensimycin B
4
methyl ester (
CHEBI:68240
)
is a
monosaccharide derivative (
CHEBI:63367
)
platensimycin B
4
methyl ester (
CHEBI:68240
)
is a
phenols (
CHEBI:33853
)
platensimycin B
4
methyl ester (
CHEBI:68240
)
is a
polycyclic cage (
CHEBI:33640
)
IUPAC Name
methyl 3-
({3-
[(1
S
,4a
S
,6
S
,7
S
,9
S
,9a
R
)-
1,6-
dimethyl-
2-
oxo-
1,2,5,6,7,8,9,9a-
octahydro-
6,9-
epoxy-
4a,7-
methanobenzo[7]annulen-
1-
yl]propanoyl}amino)-
4-
(β-
L
-
glucopyranosyloxy)-
2-
hydroxybenzoate
Citation
Type
Source
21214253
PubMed citation
Europe PMC
Last Modified
06 March 2014