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CHEBI:69483 - Thailandepsin A

ChEBI IDCHEBI:69483
ChEBI NameThailandepsin A
Stars
DefinitionA natural product found in Burkholderia thailandensis E264.
Last Modified22 September 2014
DownloadsMolfile
FormulaC23H37N3O6S3
Net Charge0
Average Mass547.765
Monoisotopic Mass547.18445
SMILESCC[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
InChIInChI=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
InChIKeyVJXBYUITQBTTQM-UFIBWMMISA-N
Species of MetaboliteComponentSourceComments
Burkholderia thailandensis E264 (ncbitaxon:271848) latex (BTO:0000710) PubMed (21793558) Previous component: resin; Ethylacetate extract of dry mass of XAD16 resin and cell debris(strain isolated from rice paddy)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Thailandepsin A (CHEBI:69483) has role metabolite (CHEBI:25212)
Thailandepsin A (CHEBI:69483) is a cyclodepsipeptide (CHEBI:35213)
Synonyms  Source
Burkholdac BChEBI
(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-tetroneChEBI
Citations