CHEBI:69484 - Thailandepsin B

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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.
Supplier Information
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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 (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 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 Waiting for Citations 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);