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ChEBI
> Main
CHEBI:69483 - Thailandepsin A
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ChEBI Ontology
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ChEBI Name
Thailandepsin A
ChEBI ID
CHEBI:69483
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
C23H37N3O6S3
Net Charge
0
Average Mass
547.75100
Monoisotopic Mass
547.18445
InChI
InChI=1S/C23H37N3O6S3/c1-
4-
14(2)
21-
18(27)
12-
20(29)
32-
15-
7-
5-
6-
9-
34-
35-
13-
17(23(31)
26-
21)
25-
22(30)
16(8-
10-
33-
3)
24-
19(28)
11-
15/h5,7,14-
18,21,27H,4,6,8-
13H2,1-
3H3,(H,24,28)
(H,25,30)
(H,26,31)
/b7-
5+/t14-
,15+,16+,17+,18-
,21-
/m0/s1
InChIKey
VJXBYUITQBTTQM-UFIBWMMISA-N
SMILES
CC[C@H](C)[C@@H]1NC(=O)[C@H]2CSSCC\C=C\[C@H](CC(=O)N[C@H](CCSC)C(=O)N2)OC(=O)C[C@@H]1O
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 A (
CHEBI:69483
)
has role
metabolite (
CHEBI:25212
)
Thailandepsin A (
CHEBI:69483
)
is a
cyclodepsipeptide (
CHEBI:35213
)
Synonyms
Sources
(1S,5S,6R,9S,15E,20R)-
6-
[(2S)-
2-
Butanyl]-
5-
hydroxy-
20-
[2-
(methylsulfanyl)ethyl]-
2-
oxa-
11,12-
dithia-
7,19,22-
triazabicyclo[7.7.6]docos-
15-
ene-
3,8,18,21-
tetrone
ChEBI
Burkholdac B
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:carboxylic ester(CHEBI:33308); ISA:organic disulfide(CHEBI:35489); ISA:secondary alcohol(CHEBI:35681); ISA:carboxamide(CHEBI:37622); ISA:lactone(CHEBI:25000); ISA:organosulfur compound(CHEBI:33261); ISA:ether(CHEBI:25698); ISA:aliphatic sulfide(CHEBI:22327); ISA:monocarboxylic acid(CHEBI:25384); ISA:carboxylic acid(CHEBI:33575); ISA:carbonyl compound(CHEBI:36586); ISA:amine(CHEBI:32952);