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> Main
CHEBI:69484 - Thailandepsin B
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ChEBI Ontology
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ChEBI Name
Thailandepsin B
ChEBI ID
CHEBI:69484
Definition
A natural product found in
Burkholderia thailandensis E264
.
Stars
This entity has been manually annotated by a third party.
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Formula
C24H39N3O6S2
Net Charge
0
Average Mass
529.71300
Monoisotopic Mass
529.22803
InChI
InChI=1S/C24H39N3O6S2/c1-
4-
6-
10-
17-
23(31)
26-
18-
14-
35-
34-
11-
8-
7-
9-
16(12-
20(29)
25-
17)
33-
21(30)
13-
19(28)
22(15(3)
5-
2)
27-
24(18)
32/h7,9,15-
19,22,28H,4-
6,8,10-
14H2,1-
3H3,(H,25,29)
(H,26,31)
(H,27,32)
/b9-
7+/t15-
,16+,17+,18+,19-
,22-
/m0/s1
InChIKey
MUNWAZFRKGVMPQ-GXBRVVMWSA-N
SMILES
CCCC[C@H]1NC(=O)C[C@@H]2OC(=O)C[C@H](O)[C@@H](NC(=O)[C@@H](CSSCC\C=C\2)NC1=O)[C@@H](C)CC
Metabolite of Species
Details
Burkholderia thailandensis E264
(NCBI:txid271848)
Found in latex
(BTO:0000710)
. Previous component: resin; Ethylacetate extract of dry mass of XAD16 resin and cell debris(strain isolated from rice paddy) 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
Thailandepsin B (
CHEBI:69484
)
has role
metabolite (
CHEBI:25212
)
Thailandepsin B (
CHEBI:69484
)
is a
cyclodepsipeptide (
CHEBI:35213
)
Synonym
Source
(1S,5S,6R,9S,15E,20R)-
6-
[(2S)-
2-
Butanyl]-
20-
butyl-
5-
hydroxy-
2-
oxa-
11,12-
dithia-
7,19,22-
triazabicyclo[7.7.6]docos-
15-
ene-
3,8,18,21-
tetrone
ChEBI
Citation
Type
Source
21793558
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:carboxamide(CHEBI:37622); ISA:organic disulfide(CHEBI:35489); ISA:secondary alcohol(CHEBI:35681); ISA:carboxylic ester(CHEBI:33308); ISA:lactone(CHEBI:25000); ISA:ether(CHEBI:25698); ISA:carboxylic acid(CHEBI:33575); ISA:monocarboxylic acid(CHEBI:25384); ISA:carbonyl compound(CHEBI:36586); ISA:amine(CHEBI:32952);