CHEBI:69483 - Thailandepsin A

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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.
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
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 (Bronsted 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);