CHEBI:67523 - Turnagainolide B

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ChEBI Name Turnagainolide B
ChEBI ID CHEBI:67523
Definition A natural product found in Bacillus sp. RJA2194.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C30H44N4O6
Net Charge 0
Average Mass 556.69360
Monoisotopic Mass 556.326
InChI InChI=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
InChIKey SMWGFJCKWZCJNQ-QWGWBJRGSA-N
SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\c1ccccc1)C(C)C
Metabolite of Species Details
Bacillus sp.cies RJA2194 (NCBI:txid1037354) Methanolic extract of lyophilized solid agar and cells 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 Turnagainolide B (CHEBI:67523) has role metabolite (CHEBI:25212)
Turnagainolide B (CHEBI:67523) is a cyclodepsipeptide (CHEBI:35213)
Citation Waiting for Citations Type Source
21539394 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:alpha-amino acid ester(CHEBI:46874); ISA:styrenes(CHEBI:26799); ISA:carboxamide(CHEBI:37622); ISA:carboxylic ester(CHEBI:33308); ISA:lactone(CHEBI:25000); ISA:ether(CHEBI:25698); ISA:monocarboxylic acid(CHEBI:25384); ISA:carboxylic acid(CHEBI:33575); ISA:amine(CHEBI:32952); ISA:carbonyl compound(CHEBI:36586);