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ChEBI
> Main
CHEBI:67522 - Turnagainolide A
Main
ChEBI Ontology
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ChEBI Name
Turnagainolide A
ChEBI ID
CHEBI:67522
Definition
A natural product found in
Bacillus sp. RJA2194
.
Stars
This entity has been manually annotated by a third party.
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Formula
C30H44N4O6
Net Charge
0
Average Mass
556.69360
Monoisotopic Mass
556.32609
InChI
InChI=1S/C30H44N4O6/c1-
8-
19(6)
26-
29(38)
33-
25(18(4)
5)
30(39)
40-
22(15-
14-
21-
12-
10-
9-
11-
13-
21)
16-
23(35)
32-
24(17(2)
3)
28(37)
31-
20(7)
27(36)
34-
26/h9-
15,17-
20,22,24-
26H,8,16H2,1-
7H3,(H,31,37)
(H,32,35)
(H,33,38)
(H,34,36)
/b15-
14+/t19-
,20+,22-
,24-
,25-
,26-
/m0/s1
InChIKey
SMWGFJCKWZCJNQ-VTKBYMJVSA-N
SMILES
CC[C@H]
(C)
[C@@H]
1NC(=O)
[C@@H]
(C)
NC(=O)
[C@@H]
(NC(=O)
C[C@@H]
(OC(=O)
[C@@H]
(NC1=O)
C(C)
C)
\C=C\c1ccccc1)
C(C)
C
Metabolite of Species
Details
Bacillus
sp.
cies RJA2194
(NCBI:txid1037354)
Methanolic extract of lyophilized solid agar and cells See:
PubMed
Roles Classification
Chemical Role
(s):
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
Turnagainolide A (
CHEBI:67522
)
has role
metabolite (
CHEBI:25212
)
Turnagainolide A (
CHEBI:67522
)
is a
cyclodepsipeptide (
CHEBI:35213
)
Citation
Type
Source
21539394
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:macrolide(CHEBI:25106); ISA:lactam(CHEBI:24995); ISA:keratan 6'-sulfate(CHEBI:18331); ISA:azamacrocycle(CHEBI:52898); ISA:alpha-amino acid ester(CHEBI:46874); ISA:styrenes(CHEBI:26799); ISA:carboxamide(CHEBI:37622); ISA:carboxylic ester(CHEBI:33308); ISA:lactone(CHEBI:25000); ISA:ether(CHEBI:25698); ISA:monocarboxylic acid(CHEBI:25384); ISA:carboxylic acid(CHEBI:33575); ISA:amine(CHEBI:32952); ISA:carbonyl compound(CHEBI:36586);