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CHEBI:67523 - Turnagainolide B

ChEBI IDCHEBI:67523
ChEBI NameTurnagainolide B
Stars
DefinitionA natural product found in Bacillus sp. RJA2194.
Last Modified22 September 2014
DownloadsMolfile
FormulaC30H44N4O6
Net Charge0
Average Mass556.704
Monoisotopic Mass556.32609
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)C[C@@H](/C=C/c2ccccc2)OC(=O)[C@H](C(C)C)NC1=O
InChIInChI=1S/C30H44N4O6/c1-8-19(6)26-29(38)33-25(18(4)5)30(39)40-22(15-14-21-12-10-9-11-13-21)16-23(35)32-24(17(2)3)28(37)31-20(7)27(36)34-26/h9-15,17-20,22,24-26H,8,16H2,1-7H3,(H,31,37)(H,32,35)(H,33,38)(H,34,36)/b15-14+/t19-,20+,22+,24-,25-,26-/m0/s1
InChIKeySMWGFJCKWZCJNQ-QWGWBJRGSA-N
Species of MetaboliteComponentSourceComments
Bacillus species RJA2194 (ncbitaxon:1037354) - PubMed (21539394) Methanolic extract of lyophilized solid agar and cells
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)
Turnagainolide B (CHEBI:67523) has role metabolite (CHEBI:25212)
Turnagainolide B (CHEBI:67523) is a cyclodepsipeptide (CHEBI:35213)
Citations