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CHEBI:67331 - Veraguamide B

ChEBI IDCHEBI:67331
ChEBI NameVeraguamide B
Stars
DefinitionA natural product found in Symploca hydnoides and Oscillatoria margaritifera PAC-17-FEB-10-2.
Last Modified22 September 2014
DownloadsMolfile
FormulaC36H57BrN4O8
Net Charge0
Average Mass753.776
Monoisotopic Mass752.33598
SMILESCC(C)[C@@H]1NC(=O)[C@@H](C)[C@@H](CCCC#CBr)OC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)OC(=O)[C@H](C(C)C)N(C)C1=O
InChIInChI=1S/C36H57BrN4O8/c1-20(2)27-33(44)40(11)29(22(5)6)36(47)49-30(23(7)8)34(45)41-19-15-16-25(41)32(43)39(10)28(21(3)4)35(46)48-26(17-13-12-14-18-37)24(9)31(42)38-27/h20-30H,12-13,15-17,19H2,1-11H3,(H,38,42)/t24-,25-,26+,27-,28-,29-,30-/m0/s1
InChIKeyUQYHDSHIIDYSSP-PYYGQVSISA-N
Species of MetaboliteComponentSourceComments
Oscillatoria margaritifera PAC-17-FEB-10-2 (ncbitaxon:991921) - PubMed (21488639) CH2Cl2:CH3OH(2:1) extract of biomass
Symploca hydnoides (ncbitaxon:207924) - PubMed (21446699) EtOAc-MeOH(1:1) extract of freeze-dried cyanobacteria
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)
Veraguamide B (CHEBI:67331) has role metabolite (CHEBI:25212)
Veraguamide B (CHEBI:67331) is a cyclodepsipeptide (CHEBI:35213)
Citations