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CHEBI:221858 - Burkholdac A

ChEBI IDCHEBI:221858
ChEBI NameBurkholdac A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H35N3O6S3
Net Charge0
Average Mass533.738
Monoisotopic Mass533.16880
SMILESCSCCC1NC(=O)CC2/C=C/CCSSCC(NC1=O)C(=O)NC(C(C)C)C(O)CC(=O)O2
InChIInChI=1S/C22H35N3O6S3/c1-13(2)20-17(26)11-19(28)31-14-6-4-5-8-33-34-12-16(22(30)25-20)24-21(29)15(7-9-32-3)23-18(27)10-14/h4,6,13-17,20,26H,5,7-12H2,1-3H3,(H,23,27)(H,24,29)(H,25,30)/b6-4+
InChIKeyZRJPMGCEOCZSQC-GQCTYLIASA-N
Species of MetaboliteComponentSourceComments
Burkholderia thailandensis (ncbitaxon:57975) - PubMed (21348454)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Burkholdac A (CHEBI:221858) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(15E)-5-hydroxy-20-(2-methylsulanylethyl)-6-propan-2-yl-2-oxa-11,12-dithia-7,19,22-triazabicyclo[7.7.6]docos-15-ene-3,8,18,21-tetrone