CHEBI:221858 - Burkholdac A

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Burkholdac A
ChEBI ID CHEBI:221858
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H35N3O6S3
Net Charge 0
Average Mass 533.720
Monoisotopic Mass 533.16880
InChI InChI=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+
InChIKey ZRJPMGCEOCZSQC-GQCTYLIASA-N
SMILES S1SCCC=CC2OC(=O)CC(C(NC(C(C1)NC(=O)C(NC(=O)C2)CCSC)=O)C(C)C)O
Metabolite of Species Details
Burkholderia thailandensis (NCBI:txid57975) 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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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