EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:69484 - Thailandepsin B

ChEBI IDCHEBI:69484
ChEBI NameThailandepsin B
Stars
DefinitionA natural product found in Burkholderia thailandensis E264.
Last Modified22 September 2014
DownloadsMolfile
FormulaC24H39N3O6S2
Net Charge0
Average Mass529.725
Monoisotopic Mass529.22803
SMILESCCCC[C@H]1NC(=O)C[C@H]2/C=C/CCSSC[C@@H](NC1=O)C(=O)N[C@@H]([C@@H](C)CC)[C@@H](O)CC(=O)O2
InChIInChI=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
InChIKeyMUNWAZFRKGVMPQ-GXBRVVMWSA-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 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-tetroneChEBI
Citations