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:68261 - platensimycin A2 methyl ester
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
platensimycin A2 methyl ester
ChEBI ID
CHEBI:68261
Definition
A polycyclic cage that is the methyl ester derivative of 11-hydroxy substituted platensimycin. It is isolated from
Streptomyces platensis
.
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
C25H29NO8
Net Charge
0
Average Mass
471.49970
Monoisotopic Mass
471.18932
InChI
InChI=1S/C25H29NO8/c1-
23(8-
7-
17(29)
26-
18-
14(27)
5-
4-
12(19(18)
30)
22(32)
33-
3)
16(28)
6-
9-
25-
11-
24(2)
13(21(25)
31)
10-
15(34-
24)
20(23)
25/h4-
6,9,13,15,20-
21,27,30-
31H,7-
8,10-
11H2,1-
3H3,(H,26,29)
/t13-
,15+,20+,21-
,23-
,24+,25+/m1/s1
InChIKey
CSEORCWUBZJLKU-DORBYWMYSA-N
SMILES
[H]
[C@@]
12C[C@]
3([H]
)
[C@@H]
(O)
[C@]
4(C[C@]
3(C)
O1)
C=CC(=O)
[C@@]
(C)
(CCC(=O)
Nc1c(O)
ccc(C(=O)
OC)
c1O)
[C@]
24[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 A2 methyl ester (
CHEBI:68261
)
has functional parent
platensimycin (
CHEBI:68236
)
platensimycin A2 methyl ester (
CHEBI:68261
)
has role
bacterial metabolite (
CHEBI:76969
)
platensimycin A2 methyl ester (
CHEBI:68261
)
is a
aromatic amide (
CHEBI:62733
)
platensimycin A2 methyl ester (
CHEBI:68261
)
is a
benzoate ester (
CHEBI:36054
)
platensimycin A2 methyl ester (
CHEBI:68261
)
is a
cyclic ether (
CHEBI:37407
)
platensimycin A2 methyl ester (
CHEBI:68261
)
is a
cyclic ketone (
CHEBI:3992
)
platensimycin A2 methyl ester (
CHEBI:68261
)
is a
monocarboxylic acid amide (
CHEBI:29347
)
platensimycin A2 methyl ester (
CHEBI:68261
)
is a
polycyclic cage (
CHEBI:33640
)
platensimycin A2 methyl ester (
CHEBI:68261
)
is a
resorcinols (
CHEBI:33572
)
platensimycin A2 methyl ester (
CHEBI:68261
)
is a
secondary alcohol (
CHEBI:35681
)
IUPAC Name
methyl 2,4-
dihydroxy-
3-
({3-
[(1
S
,4a
R
,6
S
,7
R
,9
S
,9a
R
,11
R
)-
11-
hydroxy-
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)benzoate
Citation
Type
Source
21214253
PubMed citation
Europe PMC
Last Modified
06 March 2014